SCHEMBL8302095

SCHEMBL8302095

COc1ccc(OC(F)(F)F)cc1C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
PPARD Q03181 1/20 0.41
FFAR4 Q5NUL3 3/20 0.40
P2RX7 Q99572 3/20 0.40
FFAR1 O14842 2/20 0.40
RUNX1 Q01196 2/20 0.40
ALPL P05186 2/20 0.40
CRHR1 P34998 1/20 0.39

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
SCHEMBL14534817 0.88 GPR3 (0.46) GPR3PPARDFFAR4FFAR1
SCHEMBL14499403 0.86 MCHR1 (0.46) CA12CA9PPARDFFAR4FFAR1
SCHEMBL12180463 0.85 GPR3 (0.44) GPR3CA12CA1CA2CA7
SCHEMBL16952355 0.85 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL12422184 0.84 CA12 (0.61) GPR3CA12CA1CA2CA7
SCHEMBL13431467 0.82 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL3563216 0.81 GPR3 (0.41) GPR3PPARDFFAR4FFAR1
SCHEMBL5158453 0.81 ALDH1A1 (0.46) GPR3CA12CA1CA2CA7
SCHEMBL16953616 0.80 PPARD (0.47) GPR3PPARDFFAR4FFAR1
SCHEMBL16955239 0.80 PPARD (0.41) GPR3PPARDFFAR4FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023150374-A1 INDUCERS OF KLF2 AND METHODS OF USE THEREOF RIPARIAN PHARMACEUTICALS, INC. (US) 2023-08-10 WO disclosed
WO-2019217957-A1 QUINOLINE COMPOUNDS AND THEIR PREPARATION AND USE AS ANTIMALARIAL AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-11-14 WO disclosed
EP-2968316-B1 2-HYDROXY-1-{4-[(4-PHENYLPHENYL)CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER FORMA THERAPEUTICS INC (US) 2019-08-07 EP disclosed
EP-3461809-A1 TETRACYCLINE COMPOUNDS Tetraphase Pharmaceuticals, Inc. (US) 2019-04-03 EP disclosed
US-20170247311-A1 CYCLOBUTANE CONTAINING CARBOXYLIC ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-08-31 US disclosed
US-20170002014-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS SUMITOMO PHARMA AMERICA, INC. 2017-01-05 US disclosed
EP-2733534-B1 COMPOSITION FOR FORMING FINE PATTERN AND METHOD FOR FORMING FINED PATTERN USING SAME MERCK PATENT GMBH (DE) 2016-09-14 EP disclosed
US-9416132-B2 Substituted imidazo[1,2-b]pyridazines as protein kinase inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2016-08-16 US disclosed
US-9315494-B2 Alkyl-amide-substituted pyridyl compounds useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-19 US disclosed
US-9298094-B2 Composition for forming fine pattern and method for forming fined pattern using same MERCK PATENT GMBH (DE) 2016-03-29 US disclosed
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 EP disclosed
US-20080312223-A1 Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases ASTEX THERAPEUTICS LIMITED (GB) 2008-12-18 US disclosed
US-20080312223-A1 Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases ASTEX THERAPEUTICS LIMITED (GB) 2008-12-18 US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO 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 (5 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-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K5 GPR3 1852/4885CA12 4228/4885CA1 2384/4885
US-20080312223-A1 Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases CDK1, CDK8, CDK2 GPR3 1780/4885CA12 1631/4885CA1 1002/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 GPR3 4155/4885CA12 4180/4885CA1 4014/4885
US-20170247311-A1 CYCLOBUTANE CONTAINING CARBOXYLIC ACID GPR120 MODULATORS GPR68, GPR88, GPR55 GPR3 9/4885CA12 1732/4885CA1 2539/4885
US-20170002014-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 GPR3 1922/4885CA12 3387/4885CA1 2809/4885

“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.