PHOSPHO1

Summary

PHOSPHO1 (phosphoethanolamine/phosphocholine phosphatase 1, HGNC:16815) is a protein-coding gene on chromosome 17q21.32, encoding Phosphoethanolamine/phosphocholine phosphatase (Q8TCT1). Phosphatase that has a high activity toward phosphoethanolamine (PEA) and phosphocholine (PCho).

Enables phosphocholine phosphatase activity; phosphoethanolamine phosphatase activity; and pyrophosphatase activity. Predicted to be involved in bone mineralization involved in bone maturation. Predicted to act upstream of or within endochondral ossification. Predicted to be located in cytosol. Predicted to be active in extracellular membrane-bounded organelle.

Source: NCBI Gene 162466 — RefSeq curated summary.

At a glance

• GWAS associations: 4
• Clinical variants (ClinVar): 45 total
• Druggable target: yes — 2 molecules with ChEMBL bioactivity
• MANE Select transcript: NM_178500

Identifiers

Gene identifiers

Field	Value
HGNC ID	HGNC:16815
Approved symbol	PHOSPHO1
Name	phosphoethanolamine/phosphocholine phosphatase 1
Location	17q21.32
Locus type	gene with protein product
Status	Approved
Ensembl gene	ENSG00000173868
Ensembl biotype	protein_coding
Entrez	162466

Gene structure

Transcript identifiers

Ensembl transcripts: 7 — 7 protein_coding

ENST00000310544, ENST00000413580, ENST00000503902, ENST00000511066, ENST00000512250, ENST00000514112, ENST00000574638

RefSeq mRNA: 2 — MANE Select: NM_178500 NM_001143804, NM_178500

CCDS: CCDS11547, CCDS45726

Canonical transcript exons

ENST00000310544 — 3 exons

Exon	Start	End
ENSE00001514961	49223366	49225004
ENSE00002076636	49230468	49230787
ENSE00003589185	49226647	49226758

Expression profiles

Bgee: expression breadth ubiquitous, 155 present calls, max score 99.68.

FANTOM5 (CAGE): breadth broad, TPM avg 11.2927 / max 2241.6303, expressed in 496 samples.

FANTOM5 promoters (8 alternative TSS)

Promoter ID	TPM avg	Samples expressed
166789	9.4829	459
166785	0.7765	106
166788	0.3864	86
166787	0.2203	71
166790	0.2195	53
166786	0.1101	42
208240	0.0612	24
166784	0.0358	18

Top tissues by expression

251 total, by Bgee expression score (0-100, higher = more expressed):

Tissue	Anatomy ID	Expression score	Quality
male germ line stem cell (sensu Vertebrata) in testis	CL:0000089 ∩ UBERON:0000473	99.68	gold quality
left testis	UBERON:0004533	93.66	gold quality
right testis	UBERON:0004534	93.52	gold quality
granulocyte	CL:0000094	91.97	gold quality
blood	UBERON:0000178	90.41	gold quality
monocyte	CL:0000576	90.24	gold quality
leukocyte	CL:0000738	90.23	gold quality
testis	UBERON:0000473	89.09	gold quality
primordial germ cell in gonad	CL:0000670 ∩ UBERON:0000991	88.69	gold quality
spleen	UBERON:0002106	80.39	gold quality
hindlimb stylopod muscle	UBERON:0004252	77.30	gold quality
bone marrow cell	CL:0002092	74.98	gold quality
bone marrow	UBERON:0002371	72.04	gold quality
vermiform appendix	UBERON:0001154	69.88	gold quality
right lung	UBERON:0002167	68.82	gold quality
prefrontal cortex	UBERON:0000451	68.03	gold quality
right frontal lobe	UBERON:0002810	67.66	gold quality
gastrocnemius	UBERON:0001388	67.58	gold quality
anterior cingulate cortex	UBERON:0009835	67.44	gold quality
upper lobe of left lung	UBERON:0008952	67.20	gold quality
muscle of leg	UBERON:0001383	66.77	gold quality
Brodmann (1909) area 9	UBERON:0013540	66.06	gold quality
left uterine tube	UBERON:0001303	66.02	gold quality
right adrenal gland	UBERON:0001233	65.85	gold quality
smooth muscle tissue	UBERON:0001135	65.75	gold quality
C1 segment of cervical spinal cord	UBERON:0006469	65.58	gold quality
left adrenal gland	UBERON:0001234	65.20	gold quality
upper lobe of lung	UBERON:0008948	65.11	gold quality
adrenal tissue	UBERON:0018303	65.08	gold quality
left adrenal gland cortex	UBERON:0035825	65.07	gold quality

Single-cell (SCXA)

Detected in 6 experiment(s), a significant marker in 3.

Experiment	Marker?	Max mean expression
E-MTAB-3929	yes	813.65
E-MTAB-10042	yes	26.76
E-MTAB-9067	yes	5.18
E-ANND-3	no	2.49
E-HCAD-10	no	1.96
E-MTAB-9467	no	1.44

Regulation

Is transcription factor: no

miRNA regulators (miRDB)

54 targeting PHOSPHO1, top 30 by miRDB confidence (max_score; target_count = how many genes the miRNA targets in total — lower means more specific):

miRNA	Max score	Avg score	miRNA target_count
HSA-MIR-9-5P	100.00	72.28	2361
HSA-MIR-6748-5P	100.00	65.81	1057
HSA-MIR-6870-5P	99.99	68.55	2115
HSA-MIR-4723-5P	99.97	68.70	2034
HSA-MIR-5698	99.97	68.49	2029
HSA-MIR-7111-5P	99.97	68.48	2062
HSA-MIR-5010-5P	99.94	64.11	705
HSA-MIR-4525	99.94	64.38	675
HSA-MIR-3119	99.92	71.34	2390
HSA-MIR-7845-5P	99.88	64.88	771
HSA-MIR-4447	99.85	67.81	2900
HSA-MIR-7110-5P	99.80	67.84	1712
HSA-MIR-6842-5P	99.80	67.54	1587
HSA-MIR-6848-3P	99.64	66.49	885
HSA-MIR-6752-5P	99.59	67.32	1243
HSA-MIR-4472	99.56	66.08	1478
HSA-MIR-6751-5P	99.56	64.99	1145
HSA-MIR-5584-5P	99.49	68.22	2814
HSA-MIR-1275	99.47	67.90	2749
HSA-MIR-6839-3P	99.39	68.86	1301
HSA-MIR-135A-5P	99.36	71.85	1601
HSA-MIR-135B-5P	99.36	71.63	1613
HSA-MIR-4427	99.34	70.33	1854
HSA-MIR-4652-3P	99.33	70.02	2742
HSA-MIR-3160-5P	99.28	69.07	1938
HSA-MIR-4505	99.27	67.81	2678
HSA-MIR-6843-3P	99.26	66.42	915
HSA-MIR-5787	99.22	67.86	2628
HSA-MIR-7109-5P	99.18	66.13	1057
HSA-MIR-328-5P	99.08	64.65	1000

Literature-anchored findings (GeneRIF, showing 6)

• Models of PHOSPHO2 and PHOSPHO1 suggest subtle differences in the charge distributions around the putative substrate entry site and in the location of potential H-bond donors. (PMID:16054448)
• The identification of a novel, alternatively spliced PHOSPHO1 transcript (PHOSPHO1-3a), was described. (PMID:18471996)
• REVIEW: role of bone-type tissue-nonspecific alkaline phosphatase and PHOSPO1 in vascular calcification (PMID:24533943)
• DNA methylation at the PHOSPHO1 locus cg02650017 in blood DNA was associated with a decreased risk for future type 2 diabetes. (PMID:27148772)
• CpG sites located in PHOSPHO1 gene showed differential methylation in association with lipid traits. Genetic variants in PHOSPHO1 gene were also associated with lipid profile. (PMID:28173150)
• PHOSPHO1 Serves as a Key Metabolism-Related Biomarker in the Tumorigenesis of Diffuse Large B-cell Lymphoma. (PMID:35943680)

Cross-species orthologs

5 orthologs

Organism	Symbol	Gene ID
danio_rerio	phospho1	ENSDARG00000008403
mus_musculus	Phospho1	ENSMUSG00000050860
rattus_norvegicus	Phospho1	ENSRNOG00000005569
drosophila_melanogaster	CG14212	FBGN0031045
drosophila_melanogaster	CG12237	FBGN0031048

Paralogs (1): PHOSPHO2 (ENSG00000144362)

Protein

Protein identifiers

Phosphoethanolamine/phosphocholine phosphatase — Q8TCT1 (reviewed: Q8TCT1)

All UniProt accessions (5): Q8TCT1, D6RB58, D6RHH9, D6RIT6, I3L4N1

UniProt curated annotations — full annotation on UniProt →

Function. Phosphatase that has a high activity toward phosphoethanolamine (PEA) and phosphocholine (PCho). Involved in the generation of inorganic phosphate for bone mineralization. Acts in a non-redundant manner with PHOSPHO1 in skeletal mineralization: while PHOSPHO1 mediates the initiation of hydroxyapatite crystallization in the matrix vesicles (MVs), ALPL/TNAP catalyzes the spread of hydroxyapatite crystallization in the extracellular matrix.

Subcellular location. Extracellular vesicle.

Tissue specificity. Expressed at sites of mineralization in bone and cartilage. Highly expressed in osteoblast cell line SaOS-2 which produces a mineralized matrix, but not in MG-63 cell line, which do not mineralize.

Similarity. Belongs to the HAD-like hydrolase superfamily. PHOSPHO family.

Isoforms (3)

UniProt ID	Names	Canonical?
Q8TCT1-1	1	yes
Q8TCT1-2	2, PHOSPHO1-3a
Q8TCT1-3	3

RefSeq proteins (2): NP_001137276, NP_848595* (*=MANE)

Domains & families (InterPro)

ID	Name	Type
IPR006384	HAD_hydro_PyrdxlP_Pase-like	Family
IPR016965	Pase_PHOSPHO-typ	Family
IPR023214	HAD_sf	Homologous_superfamily
IPR036412	HAD-like_sf	Homologous_superfamily

Pfam: PF06888

Enzyme classification (BRENDA):

• EC 3.1.3.75 — phosphoethanolamine/phosphocholine phosphatase (BRENDA: 10 organisms, 32 substrates, 53 inhibitors, 36 Km, 23 kcat entries)

Substrate kinetics (BRENDA)

5 substrates with measured Km, best-characterized 5. Km ranges are aggregated across organisms/conditions.

Substrate	Km (mM)	Measurements
P-NITROPHENYL PHOSPHATE	1.4–22.2	17
PHOSPHOCHOLINE	0.0114–3.6	11
4-NITROPHENYL PHOSPHATE	0.51–1.9	3
O-PHOSPHOETHANOLAMINE	0.003–4.14	3
PHOSPHOETHANOLAMINE	1.16	1

Catalyzed reactions (Rhea), 2 shown:

• phosphocholine + H2O = choline + phosphate (RHEA:10492)
• phosphoethanolamine + H2O = ethanolamine + phosphate (RHEA:16089)

UniProt features (14 total): binding site 5, mutagenesis site 4, active site 2, splice variant 2, chain 1

Structure

Experimental structures (PDB)

0 structures.

Predicted structure (AlphaFold)

Model	pLDDT	Fraction very-high
AF-Q8TCT1-F1	91.64	0.86

Functional residue map

Curated UniProt residues grouped by drug-discovery relevance — catalytic, ligand-binding, modification, and mutation-validated positions. Source: UniProtKB sequence features.

Catalytic / active sites (2): 32 (nucleophile); 34 (proton donor)

Ligand- & substrate-binding residues (5): 32; 34; 43; 123; 203

Mutagenesis-validated functional residues (4):

Position	Phenotype
32	abolishes phosphatase activity.
43	strongly reduces reactivity toward pea and pcho substrates. abolishes phosphatase activity; when associated with n-123.
123	strongly reduces reactivity toward pea and pcho substrates. abolishes phosphatase activity; when associated with n-43.
203	abolishes phosphatase activity.

Function

Pathways and Gene Ontology

Reactome pathways

2 pathways

ID	Pathway
R-HSA-1483191	Synthesis of PC
R-HSA-1483213	Synthesis of PE

MSigDB gene sets: 111 (showing top): GOBP_SKELETAL_SYSTEM_DEVELOPMENT, AAGCCAT_MIR135A_MIR135B, GGGTGGRR_PAX4_03, CEBPB_01, GOBP_REPLACEMENT_OSSIFICATION, GOBP_ANATOMICAL_STRUCTURE_MATURATION, GOBP_ANIMAL_ORGAN_MORPHOGENESIS, GOBP_BONE_DEVELOPMENT, GOBP_BONE_MINERALIZATION, GOBP_OSSIFICATION, GOBP_BONE_MORPHOGENESIS, GGTGAAG_MIR412, GOBP_ENDOCHONDRAL_BONE_MORPHOGENESIS, NIKOLSKY_BREAST_CANCER_17Q21_Q25_AMPLICON, CTAWWWATA_RSRFC4_Q2

GO Biological Process (4): endochondral ossification (GO:0001958), bone mineralization (GO:0030282), regulation of bone mineralization (GO:0030500), bone mineralization involved in bone maturation (GO:0035630)

GO Molecular Function (7): pyrophosphatase activity (GO:0016462), phosphatase activity (GO:0016791), metal ion binding (GO:0046872), phosphocholine phosphatase activity (GO:0052731), phosphoethanolamine phosphatase activity (GO:0052732), protein binding (GO:0005515), hydrolase activity (GO:0016787)

GO Cellular Component (4): cytosol (GO:0005829), extracellular matrix (GO:0031012), extracellular membrane-bounded organelle (GO:0065010), extracellular vesicle (GO:1903561)

Reactome top-level categories

Rollup of top-1 pathways:

Category	Pathways
Glycerophospholipid biosynthesis	2

GO top-level categories

Rollup of top GO terms by namespace:

Category	Terms
bone mineralization	2
phosphatase activity	2
extracellular region	2
replacement ossification	1
endochondral bone morphogenesis	1
ossification	1
biomineral tissue development	1
regulation of ossification	1
regulation of biomineral tissue development	1
ossification involved in bone maturation	1
hydrolase activity, acting on acid anhydrides, in phosphorus-containing anhydrides	1
phosphoric ester hydrolase activity	1
cation binding	1
binding	1
catalytic activity	1
cytoplasm	1
cellular anatomical structure	1
external encapsulating structure	1
membrane-bounded organelle	1
extracellular organelle	1
vesicle	1
extracellular membrane-bounded organelle	1

Protein interactions and networks

STRING

624 interactions, top by confidence (×1000):

Protein A	Protein B	Partner UniProt	Score
PHOSPHO1	ALPL	P05186	832
PHOSPHO1	ENPP1	P22413	822
PHOSPHO1	ANKH	Q9HCJ1	526
PHOSPHO1	ABCG1	P45844	519
PHOSPHO1	PHEX	P78562	483
PHOSPHO1	SMPD3	Q9NY59	477
PHOSPHO1	TXNIP	Q9H3M7	447
PHOSPHO1	SLC20A1	Q8WUM9	446
PHOSPHO1	MEPE	Q9NQ76	415
PHOSPHO1	FGF23	Q9GZV9	396
PHOSPHO1	GNGT2	O14610	384
PHOSPHO1	SLC20A2	Q08357	380
PHOSPHO1	CD22	P20273	378
PHOSPHO1	SOST	Q9BQB4	377
PHOSPHO1	AMER3	Q8N944	377

IntAct

9 interactions, top by confidence:

A	B	Type	Score
RASSF8	PHOSPHO1	psi-mi:“MI:0915”(physical association)	0.560
PHOSPHO1	ACY1	psi-mi:“MI:0914”(association)	0.500
PHOSPHO1	ACY1	psi-mi:“MI:0915”(physical association)	0.500
HLA-DMB	PHOSPHO1	psi-mi:“MI:0915”(physical association)	0.400
PHOSPHO1	DDX39A	psi-mi:“MI:0914”(association)	0.350
NECAP2	ANKRD28	psi-mi:“MI:0914”(association)	0.350

BioGRID (64): PHOSPHO1 (Affinity Capture-MS), PHOSPHO1 (Affinity Capture-MS), ACY1 (Affinity Capture-MS), CHTF18 (Affinity Capture-MS), CHTF18 (Affinity Capture-MS), ACY1 (Affinity Capture-MS), LDHA (Affinity Capture-MS), PGK1 (Affinity Capture-MS), GPI (Affinity Capture-MS), P4HB (Affinity Capture-MS), HSPD1 (Affinity Capture-MS), TCP1 (Affinity Capture-MS), PGAM1 (Affinity Capture-MS), PRDX6 (Affinity Capture-MS), PDIA3 (Affinity Capture-MS)

ESM2 similar proteins: A4FV98, A5PK51, A6NDG6, E1BE10, O00587, O35595, O95294, P60487, Q12788, Q17QS4, Q1JPJ0, Q2T9S4, Q2TBI8, Q32NY4, Q3T063, Q3ZBF9, Q501J2, Q5E9V4, Q5F4B1, Q5IS64, Q5SUV1, Q5T9C9, Q6AYG0, Q6AYR8, Q6XQN1, Q6XQN6, Q6ZMM2, Q80US4, Q8BNV1, Q8BZG5, Q8CC86, Q8IZ69, Q8N9H8, Q8NE01, Q8R2H9, Q8TCT1, Q8VCA8, Q8VD52, Q969S8, Q96AZ1

Diamond homologs: O73884, Q2KI06, Q66HC4, Q66KD6, Q67YC0, Q6DBV4, Q8R2H9, Q8TCD6, Q8TCT1, Q9D9M5, Q9FZ62, Q9SU92

SIGNOR signaling

0 interactions.

Disease & clinical

Clinical variants and AI predictions

ClinVar

45 variants total. Per-class counts are floors (≥ shown; pagination cap):

Classification	Count (floor)
Pathogenic	0
Likely pathogenic	0
Uncertain significance	39
Likely benign	2
Benign	0

Top pathogenic / likely-pathogenic (0)

SpliceAI

453 predictions. Top by Δscore:

Variant	Effect	Δscore
17:49230466:A:AC	donor_gain	1.0000
17:49230467:C:CC	donor_gain	1.0000
17:49230461:GACTC:G	donor_loss	0.9800
17:49230462:ACTC:A	donor_loss	0.9800
17:49230463:CT:C	donor_loss	0.9800
17:49230464:T:TA	donor_loss	0.9800
17:49230465:CAC:C	donor_loss	0.9800
17:49230466:ACGT:A	donor_loss	0.9800
17:49230467:C:CT	donor_loss	0.9800
17:49228018:TCCA:T	donor_gain	0.9700
17:49230460:GGACT:G	donor_loss	0.9700
17:49230467:CG:C	donor_gain	0.9700
17:49230467:CGT:C	donor_gain	0.9700
17:49230467:CGTG:C	donor_gain	0.9700
17:49230467:CGTGG:C	donor_gain	0.9700
17:49230459:AGGAC:A	donor_loss	0.9600
17:49225619:AGGGC:A	donor_gain	0.9500
17:49226767:C:CT	acceptor_gain	0.9500
17:49225012:C:CT	acceptor_gain	0.9400
17:49228006:T:C	donor_gain	0.9200
17:49225129:CAC:C	acceptor_gain	0.8900
17:49225654:G:A	donor_gain	0.8900
17:49225647:A:C	donor_gain	0.8800
17:49226645:AC:A	donor_gain	0.8800
17:49226646:CC:C	donor_gain	0.8800
17:49225127:AACAC:A	acceptor_loss	0.8700
17:49225128:ACACC:A	acceptor_loss	0.8700
17:49225129:CACCT:C	acceptor_loss	0.8700
17:49225130:ACCT:A	acceptor_loss	0.8700
17:49225132:CTG:C	acceptor_loss	0.8700

AlphaMissense

1749 scored. Top likely-pathogenic:

Variant	Protein change	am_pathogenicity
17:49224519:C:A	K177N	0.999
17:49224519:C:G	K177N	0.999
17:49224955:T:A	D32V	0.999
17:49224429:G:C	D207E	0.998
17:49224429:G:T	D207E	0.998
17:49224430:T:A	D207V	0.998
17:49224430:T:G	D207A	0.998
17:49224949:T:A	D34V	0.998
17:49224954:G:C	D32E	0.998
17:49224954:G:T	D32E	0.998
17:49224430:T:C	D207G	0.997
17:49224431:C:G	D207H	0.997
17:49224442:T:A	D203V	0.997
17:49224682:T:A	D123V	0.997
17:49224955:T:G	D32A	0.997
17:49224383:G:T	R223S	0.996
17:49224520:T:A	K177M	0.996
17:49224520:T:G	K177T	0.996
17:49224521:T:C	K177E	0.996
17:49224685:G:A	S122F	0.996
17:49224943:G:A	T36I	0.996
17:49224441:G:C	D203E	0.995
17:49224441:G:T	D203E	0.995
17:49224521:T:G	K177Q	0.995
17:49224609:G:C	S147R	0.995
17:49224609:G:T	S147R	0.995
17:49224611:T:G	S147R	0.995
17:49224675:G:C	N125K	0.995
17:49224675:G:T	N125K	0.995
17:49224685:G:T	S122Y	0.995

dbSNP variants (sampled 300 via entrez): RS1000302715 (17:49227064 T>C), RS1000546890 (17:49225862 G>A,T), RS1000641747 (17:49225651 C>T), RS1001045272 (17:49232515 TC>T), RS1001046806 (17:49231027 C>G,T), RS1001499310 (17:49231337 A>C,G), RS1001600631 (17:49230678 G>C), RS1001887328 (17:49232032 A>G), RS1002462715 (17:49225582 G>A), RS1003536104 (17:49229119 G>A,T), RS1003700993 (17:49223584 T>C), RS1004218505 (17:49228462 G>C), RS1004241324 (17:49223359 T>C), RS1004847668 (17:49231520 C>G), RS1004901416 (17:49232127 T>A,C)

Disease associations

OMIM: gene `` | disease phenotypes:

GenCC curated gene-disease

Mondo (0):

Orphanet (0):

HPO phenotypes

0 total (0 of 0 shown, HPO-id order):

GWAS associations

4 associations (top):

Study	Trait	p-value
GCST001942_17	Prostate cancer	2.000000e-09
GCST008916_126	Asthma	2.000000e-15
GCST010002_125	Refractive error	1.000000e-44
GCST012191_12	Body mass index and systolic blood pressure (bivariate analysis)	5.000000e-06

EFO canonical traits (2, from GWAS)

EFO ID	Trait name
EFO:0004340	body mass index
EFO:0006335	systolic blood pressure

Drugs & pharmacology

Drug and pharmacology data

Is drug target: yes

ChEMBL targets (1): CHEMBL6113 (SINGLE PROTEIN)

Molecules with ChEMBL bioactivity

2 molecules (phase ≥1), by development phase (incl. off-target/promiscuous compounds). Patent mentions across the top 20 by phase: 37,554 (via chembl_molecule»patent_compound — counts attach to the compound, not the gene–compound relationship, so off-target/promiscuous molecules can dominate).

Molecule	Name	Phase	Patents
CHEMBL480	LANSOPRAZOLE	4	24,317
CHEMBL51085	EBSELEN	3	13,237

PharmGKB: 1 entry (VIP=true, CPIC=false)

Binding affinities (BindingDB)

33 measured of 64 human assays (69 total across all organisms); most potent 33 below. Values come from heterogeneous assays and are not directly comparable.

Ligand	Measure	Value
2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole	IC50	434 nM
2-(4-fluorophenyl)-4,6-dinitro-1,2-benzothiazol-3-one	IC50	709 nM
3-(4-methoxyphenyl)-2-phenyl-1,2,4-thiadiazol-2-ium-5-amine;hydrochloride	IC50	1250 nM
2-(2-fluorophenyl)-4,6-dinitro-1,2-benzothiazol-3-one	IC50	1450 nM
MLS000392355	IC50	1490 nM
MLS-0315804.0001	IC50	1590 nM
2-[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-4,6-dinitro-1,2-benzothiazol-3-one	IC50	2140 nM
2,3-diphenyl-N-(phenylmethyl)-1,2,4-thiadiazol-2-ium-5-amine;hydrobromide	IC50	2590 nM
2-(3-chloranyl-2-methyl-phenyl)-6-nitro-4-[2,2,2-tris(fluoranyl)ethoxy]-1,2-benzothiazol-3-one	IC50	3030 nM
2-(3-chlorophenyl)-1,2-benzothiazol-3-one	IC50	3430 nM
(2,3-diphenyl-1,2,4-thiadiazol-2-ium-5-yl)-phenyl-amine;hydrobromide	IC50	4990 nM
2-(3-methylphenyl)-1,2-benzothiazol-3-one	IC50	5290 nM
2-(4-bromophenyl)-4,6-dinitro-1,2-benzothiazol-3-one	IC50	8140 nM
2-(2-naphthalenyl)-1,2-benzothiazol-3-one	IC50	10700 nM
2-[3-(dimethylamino)phenyl]-1,2-benzothiazol-3-one	IC50	11200 nM
2-(3-chloranyl-4-fluoranyl-phenyl)-4,6-dinitro-1,2-benzothiazol-3-one	IC50	12000 nM
3-(3-keto-1,2-benzothiazol-2-yl)-N,N-dimethyl-benzenesulfonamide	IC50	13000 nM
2-(2,4-dichlorophenyl)-6-fluoranyl-1,2-benzothiazol-3-one	IC50	14400 nM
2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one	IC50	15200 nM
2-[4-(dimethylamino)phenyl]-1,2-benzothiazol-3-one	IC50	21400 nM
2-(2,3-dimethylphenyl)-6-fluoranyl-1,2-benzothiazol-3-one	IC50	22700 nM
2-[3-(trifluoromethyl)phenyl]-1,2-benzothiazol-3-one	IC50	23700 nM
2-(diethylamino)ethyl 4-(3-oxidanylidene-1,2-benzothiazol-2-yl)benzoate	IC50	24100 nM
2-(4-fluorophenyl)-6-nitro-4-(2,2,2-trifluoroethoxy)-1,2-benzothiazol-3-one	IC50	26100 nM
2-(3-chloranyl-2-methyl-phenyl)-6-fluoranyl-1,2-benzothiazol-3-one	IC50	28600 nM
2-(3-fluorophenyl)-4,6-dinitro-1,2-benzothiazol-3-one	IC50	30100 nM
6-fluoranyl-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one	IC50	33800 nM
2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)-1,2-benzothiazol-3-one	IC50	34500 nM
2-(4-tert-butylphenyl)-1,2-benzothiazol-3-one	IC50	37600 nM
2-(5-morpholin-4-ylsulfonyl-2-piperidin-1-yl-phenyl)-1,2-benzothiazol-3-one	IC50	39200 nM
2-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-3-one	IC50	41200 nM
2-(2,5-dichlorophenyl)-6-fluoro-1,2-benzothiazol-3-one	IC50	44900 nM
2-(2,5-dimethylphenyl)-1,2-benzoselenazol-3-one	IC50	88000 nM

ChEMBL bioactivities

81 potent at pChembl≥5 of 91 total, top 50 by pChembl (potency: 10 = 0.1 nM, 6 = 1 µM).

pChembl	Type	Value	Unit	Molecule
7.63	IC50	23.3	nM	CHEMBL1732623
7.46	IC50	34.8	nM	CHEMBL1724427
7.14	IC50	72.5	nM	CHEMBL1606007
7.00	IC50	100	nM	CHEMBL1714665
6.96	IC50	111	nM	EBSELEN
6.86	IC50	139	nM	CHEMBL1570441
6.85	IC50	140	nM	CHEMBL1570441
6.72	IC50	192.5	nM	CHEMBL1725457
6.63	IC50	233	nM	CHEMBL1717022
6.60	IC50	252	nM	CHEMBL1727796
6.45	IC50	359	nM	CHEMBL1705022
6.42	IC50	384.5	nM	CHEMBL1733472
6.36	IC50	434	nM	LANSOPRAZOLE
6.34	IC50	457	nM	CHEMBL1339149
6.31	IC50	489	nM	CHEMBL1392315
6.30	IC50	500	nM	CHEMBL1339149
6.30	IC50	495	nM	CHEMBL1339149
6.30	IC50	497.5	nM	CHEMBL1731467
6.27	IC50	534	nM	CHEMBL1734915
6.26	IC50	545	nM	CHEMBL1728593
6.26	IC50	555	nM	CHEMBL1726776
6.25	IC50	560	nM	CHEMBL1713178
6.25	IC50	563.5	nM	CHEMBL1722737
6.25	IC50	555.3	nM	CHEMBL1713178
6.24	IC50	577	nM	CHEMBL1712661
6.12	IC50	755	nM	CHEMBL1709105
6.10	IC50	790	nM	CHEMBL1703200
6.10	IC50	792	nM	CHEMBL1406130
6.09	IC50	810	nM	CHEMBL1333250
6.09	IC50	820	nM	CHEMBL1369613
6.09	IC50	808	nM	CHEMBL1333250
6.09	IC50	820	nM	CHEMBL1704299
6.08	IC50	824	nM	CHEMBL1369613
6.03	IC50	940	nM	CHEMBL45152
6.03	IC50	941	nM	CHEMBL45152
5.97	IC50	1070	nM	CHEMBL1708115
5.96	IC50	1100	nM	CHEMBL1708115
5.96	IC50	1100	nM	CHEMBL1354431
5.94	IC50	1140	nM	CHEMBL1354431
5.92	IC50	1200	nM	CHEMBL1371792
5.92	IC50	1200	nM	CHEMBL1720939
5.91	IC50	1240	nM	CHEMBL1720939
5.90	IC50	1250	nM	CHEMBL1790032
5.90	IC50	1270	nM	CHEMBL1371792
5.89	IC50	1300	nM	CHEMBL1336959
5.84	IC50	1460	nM	CHEMBL1336959
5.82	IC50	1530	nM	CHEMBL1711440
5.75	IC50	1800	nM	CHEMBL1423690
5.75	IC50	1800	nM	CHEMBL1737005
5.75	IC50	1790	nM	CHEMBL1737005

PubChem BioAssay actives

23 with measured affinity, of 26 total; 23 most potent distinct compounds. Largely complementary to BindingDB; screening values are coarse (µM, 4 dp), so sub-nM hits tie at the floor.

Compound	Assay	Type	Value	Unit
N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzamide	1187641: Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins	ic50	0.1400	uM
N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide	1187641: Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins	ic50	0.5000	uM
N,N-diethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide	1187641: Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins	ic50	0.5600	uM
6-fluoro-2-phenyl-1,2-benzothiazol-3-one	1187641: Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins	ic50	0.7900	uM
2-[[3-(3-oxo-1,2-benzothiazol-2-yl)phenyl]sulfonylamino]benzoic acid	1187641: Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins	ic50	0.8100	uM
methyl 3-(3-oxo-1,2-benzothiazol-2-yl)benzoate	1187641: Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins	ic50	0.8200	uM
2-phenyl-1,2-benzothiazol-3-one	1187641: Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins	ic50	0.9400	uM
2-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1,2-benzothiazol-3-one	1187641: Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins	ic50	1.1000	uM
3-(3-oxo-1,2-benzothiazol-2-yl)benzoic acid	1187641: Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins	ic50	1.1000	uM
2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-1,2-benzothiazol-3-one	1187641: Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins	ic50	1.2000	uM
ethyl 4-(3-oxo-1,2-benzothiazol-2-yl)benzoate	1187641: Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins	ic50	1.2000	uM
2-(4-methylphenyl)-1,2-benzothiazol-3-one	1187641: Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins	ic50	1.3000	uM
2-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,2-benzothiazol-3-one	1187641: Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins	ic50	1.8000	uM
2-(3-chloro-4-fluorophenyl)-1,2-benzothiazol-3-one	1187641: Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins	ic50	1.8000	uM
N-benzyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzamide	1187641: Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins	ic50	2.3000	uM
2-(3-methylphenyl)-1,2-benzothiazol-3-one	1187641: Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins	ic50	2.7000	uM
2-(2,5-dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one	1187641: Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins	ic50	3.3000	uM
2-(2,5-dimethylphenyl)-1,2-benzothiazol-3-one	1187641: Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins	ic50	4.0000	uM
2-(2,3-dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one	1187641: Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins	ic50	4.7000	uM
2-(4-fluorophenyl)-1,2-benzothiazol-3-one	1187641: Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins	ic50	4.9000	uM
2-(3-chlorophenyl)-1,2-benzothiazol-3-one	1187641: Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins	ic50	5.2000	uM
6-fluoro-2-(4-methoxyphenyl)-1,2-benzothiazol-3-one	1187641: Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins	ic50	6.7000	uM
2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,2-benzothiazol-3-one	1187641: Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins	ic50	7.5000	uM

CTD chemical–gene interactions

27 total (human), top 27 by PubMed support.

Chemical	Actions (top 5)	PubMed papers
Air Pollutants	affects expression, increases abundance, increases expression	2
Benzo(a)pyrene	affects methylation, decreases expression, increases methylation	2
GSK-J4	decreases expression	1
mivebresib	increases expression	1
sotorasib	increases expression, affects cotreatment	1
alpha phellandrene	increases expression	1
triphenyl phosphate	affects expression	1
trichostatin A	affects expression	1
sodium arsenite	affects methylation	1
butyraldehyde	increases expression	1
S-(1,2-dichlorovinyl)cysteine	affects cotreatment, decreases expression	1
ebselen	decreases activity	1
di-n-butylphosphoric acid	affects expression	1
SCH-202676	decreases activity	1
trametinib	affects cotreatment, increases expression	1
NVP-BKM120	affects cotreatment, increases expression	1
theaflavin-3,3’-digallate	affects expression	1
Sunitinib	increases expression	1
Diazinon	increases methylation	1
Folic Acid	decreases expression	1
Lipopolysaccharides	affects cotreatment, decreases expression	1
N-Nitrosopyrrolidine	decreases expression	1
Ozone	affects expression, increases abundance	1
Tobacco Smoke Pollution	increases expression	1
Tretinoin	increases expression	1
Particulate Matter	increases abundance, increases expression	1
Lansoprazole	decreases activity	1

ChEMBL screening assays

4 unique, capped per target: 4 binding

Representative assays (with source publication via chembl_document):

Assay ID	Type	Description	Source paper
CHEMBL1054565	Binding	Inhibition of PHOSPHO1 assessed as inorganic phosphate release	Discovery and validation of a series of aryl sulfonamides as selective inhibitors of tissue-nonspecific alkaline phosphatase (TNAP). — J Med Chem

Clinical trials (associated diseases)

0 trials via MONDO — disease-level, not drug-specific.