SCHEMBL803453

SCHEMBL803453

CC(C)(C)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
TRPV4 Q9HBA0 1/20 0.43
ALDH1A1 P00352 3/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
APAF1 O14727 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL15614035 0.87 TRPV4 (0.39) KMT2ATRPV4ALDH1A1PKMSMN1; SMN2
SCHEMBL701703 0.84 TSHR (0.46) ALDH1A1SMN1; SMN2TSHRNPSR1KDM4E
SCHEMBL29754040 0.84 TSHR (0.46) ALDH1A1SMN1; SMN2TSHRNPSR1KDM4E
SCHEMBL4149032 0.84 TRPV4 (0.60) KMT2ATRPV4ALDH1A1PKMSMN1; SMN2
SCHEMBL24397795 0.83 KMT2A (0.46) KMT2ATRPV4ALDH1A1PKMSMN1; SMN2
SCHEMBL18463717 0.83 KMT2A (0.42) KMT2ATRPV4ALDH1A1PKMSMN1; SMN2
SCHEMBL14349601 0.83 PDE2A (0.38) KMT2AALDH1A1PKMTSHRKDM4E
SCHEMBL77362 0.83 TRPV4 (0.54) KMT2ATRPV4ALDH1A1GAATSHR
SCHEMBL18869960 0.80 HPGD (0.42) KMT2ATRPV4ALDH1A1PKMSMN1; SMN2
SCHEMBL24608561 0.80 KMT2A (0.43) KMT2ATRPV4ALDH1A1PKMSMN1; 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 227 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037328-B2 Compounds containing benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119 PRAMANA PHARMACEUTICALS INC. (CA) 2024-07-16 US disclosed
US-20230399342-A1 TRICYCLIC TRIAZOLO COMPOUNDS AS DGK INHIBITORS INCYTE CORPORATION 2023-12-14 US disclosed
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same SAIL BIOMEDICINES, INC. 2023-11-30 US disclosed
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same SAIL BIOMEDICINES, INC. 2023-11-30 US disclosed
US-20230331705-A1 Fused Imidazole Derivatives as AHR Antagonists SENDA BIOSCIENCES, INC. 2023-10-19 US disclosed
EP-4257587-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shenzhen Chipscreen Biosciences Co., Ltd. (CN) 2023-10-11 EP disclosed
US-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS SENDA BIOSCIENCES, INC. (US) 2023-09-21 US disclosed
US-20230295131-A1 INHIBITORS OF RHO-ASSOCIATED COILED-COIL KINASE ANGION BIOMEDICA CORP. 2023-09-21 US disclosed
US-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS SENDA BIOSCIENCES, INC. (US) 2023-09-21 US disclosed
US-11753398-B2 Therapeutic compounds C4X DISCOVERY LIMITED (GB) 2023-09-12 US disclosed
US-20080176847-A1 BRIDGED BICYCLIC ARYL AND BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-24 US disclosed
US-7390810-B2 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-24 US disclosed
US-7384948-B2 Piperidine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-06-10 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2008-01-24 US disclosed
US-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 US disclosed
US-7285549-B2 Sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-23 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 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 (13 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 KMT2A 2236/4885TRPV4 4053/4885ALDH1A1 2353/4885
US-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS AHR, ARNT, AIPL1 KMT2A 1503/4885TRPV4 1154/4885ALDH1A1 162/4885
US-11753398-B2 Therapeutic compounds HCRTR2, HCRTR1, NPY1R KMT2A 2027/4885TRPV4 298/4885ALDH1A1 1070/4885
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same AHR, CD274, ARNT KMT2A 230/4885TRPV4 4149/4885ALDH1A1 208/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 KMT2A 68/4885TRPV4 4435/4885ALDH1A1 680/4885
US-20070264196-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 KMT2A 4344/4885TRPV4 1199/4885ALDH1A1 1892/4885
US-20080176847-A1 BRIDGED BICYCLIC ARYL AND BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, ERBB2, TYRO3 KMT2A 2047/4885TRPV4 3895/4885ALDH1A1 3824/4885
US-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase BACE1, BACE2, PSEN1 KMT2A 2307/4885TRPV4 4709/4885ALDH1A1 1779/4885
US-20230295131-A1 INHIBITORS OF RHO-ASSOCIATED COILED-COIL KINASE ROCK1, ROCK2, RHOA KMT2A 2226/4885TRPV4 4745/4885ALDH1A1 3878/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 KMT2A 4546/4885TRPV4 437/4885ALDH1A1 2651/4885
US-20230399342-A1 TRICYCLIC TRIAZOLO COMPOUNDS AS DGK INHIBITORS DGKA, DGKI, DGKG KMT2A 2574/4885TRPV4 1720/4885ALDH1A1 4279/4885
US-12037328-B2 Compounds containing benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119 GPR119, GPR3, GPR39 KMT2A 3078/4885TRPV4 228/4885ALDH1A1 1111/4885
US-20230331705-A1 Fused Imidazole Derivatives as AHR Antagonists AHR, ARNT, AIPL1 KMT2A 1046/4885TRPV4 1336/4885ALDH1A1 471/4885

“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.