Sugi Predict

Sugi Predict / Compounds / SCHEMBL435538

SCHEMBL435538

SCHEMBL435538

O=C(O)CCBr.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ ESR1 P03372 2/20 0.45
▸ ESR2 Q92731 2/20 0.45
▸ KEAP1 Q14145 1/20 0.43
▸ NR4A2 P43354 1/20 0.42
▸ HDAC3 O15379 2/20 0.41
▸ HDAC4 P56524 2/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC7 Q8WUI4 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ HDAC10 Q969S8 2/20 0.41
▸ HDAC11 Q96DB2 2/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC9 Q9UKV0 2/20 0.41
▸ HDAC5 Q9UQL6 2/20 0.41
▸ FFAR1 O14842 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ADRA1A P35348 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2443584 0.88 HDAC3 (0.47) CYP3A4TDP1ESR1ESR2KEAP1
Succinic Acid SCHEMBL7629002 0.87 CYP3A4 (0.60) CYP3A4TDP1ESR1ESR2KEAP1
SCHEMBL434414 0.86 HDAC3 (0.52) CYP3A4TDP1ESR1ESR2KEAP1
SCHEMBL9665256 0.85 HDAC3 (0.55) CYP3A4TDP1NR4A2HDAC3HDAC4
SCHEMBL11794783 0.85 HDAC3 (0.55) CYP3A4TDP1NR4A2HDAC3HDAC4
SCHEMBL7619905 0.85 HDAC3 (0.55) CYP3A4TDP1NR4A2HDAC3HDAC4
SCHEMBL10472224 0.85 HDAC3 (0.55) CYP3A4TDP1NR4A2HDAC3HDAC4
SCHEMBL9578909 0.85 HDAC3 (0.55) CYP3A4TDP1NR4A2HDAC3HDAC4
Bromoacetic Acid SCHEMBL7366623 0.85 CYP3A4 (0.57) CYP3A4TDP1ESR1ESR2KEAP1
1,2-Dibromoethane SCHEMBL28837174 0.79 TDP1 (0.71) CYP3A4TDP1ESR1ESR2SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112979935-B Mitochondrial targeting macromolecule carrier material TPP-PLA and fluorescein nanoparticles as well as preparation method and application thereof 湖北科技学院 2022-05-17 — — CN claimed
CN-112979935-A Mitochondrial targeting macromolecule carrier material TPP-PLA and fluorescein nanoparticles as well as preparation method and application thereof 湖北科技学院 2021-06-18 — — CN claimed
EP-4642784-A1 HETEROCYCLIC AND HETEROARYL COMPOUNDS AS INHIBITORS OF NLRP3 PTC Therapeutics, Inc. (US) 2025-11-05 — — EP disclosed
CN-116444478-B Preparation method and application of aromatic benzo [ c ] phenanthridine alkaloid intermediate compound 宁波九胜创新医药科技有限公司 2024-12-06 — — CN disclosed
WO-2024145623-A1 HETEROCYCLIC AND HETEROARYL COMPOUNDS AS INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2024-07-04 — — WO disclosed
CN-118055974-A Polyvinyl acetal resin composition, carrier composition for inorganic fine particle dispersion, slurry composition for inorganic fine particle dispersion, and laminated ceramic capacitor 积水化学工业株式会社 2024-05-17 — — CN disclosed
CN-117412995-A Polyvinyl alcohol resin, polyvinyl acetal resin, method for producing polyvinyl alcohol resin, and method for producing polyvinyl acetal resin 积水化学工业株式会社 2024-01-16 — — CN disclosed
CN-111909083-B Inhibitors of histone demethylase 赛尔基因昆蒂赛尔研究公司 2023-08-15 — — CN disclosed
CN-116444478-A Preparation method and application of aromatic benzo [ c ] phenanthridine alkaloid intermediate compound 宁波九胜创新医药科技有限公司 2023-07-18 — — CN disclosed
WO-2023127204-A1 POLYVINYL ACETAL RESIN COMPOSITION, VEHICLE COMPOSITION FOR DISPERSING INORGANIC FINE PARTICLES, INORGANIC FINE PARTICLE-DISPERSED SLURRY COMPOSITION, AND MULTILAYER CERAMIC CAPACITOR 積水化学工業株式会社 2023-07-06 — — WO disclosed
CN-115298165-A Tetralin and tetrahydroquinoline compounds as HIF-2 alpha inhibitors 艾库斯生物科学有限公司 2022-11-04 — — CN disclosed
EP-2595969-B1 Substituted 3-phenyl-1,2,4-oxadiazole compounds BRISTOL MYERS SQUIBB CO (US) 2015-04-22 — — EP disclosed
US-8822510-B2 Substituted 3-phenyl-1,2,4-Oxadiazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-02 — — US disclosed
EP-2619190-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS Bristol-Myers Squibb Company (US) 2013-07-31 — — EP disclosed
US-20130190361-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-25 — — US disclosed
US-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUBIB COMPANY 2013-06-20 — — US disclosed
EP-2595969-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS Bristol-Myers Squibb Company (US) 2013-05-29 — — EP disclosed
WO-2012040532-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-29 — — WO disclosed
WO-2012012477-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-26 — — WO disclosed
US-3987087-A ANTI-ULCER, NASAL PATENCY, WOUND HEALING, LABOR INDUCEMENT THE UPJOHN COMPANY (US) 1976-10-19 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130190361-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS S1PR1, S1PR3, S1PR2 CYP3A4 2349/4885TDP1 1028/4885ESR1 1568/4885
US-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS S1PR1, S1PR3, S1PR2 CYP3A4 2293/4885TDP1 1576/4885ESR1 1485/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.