SCHEMBL693906

SCHEMBL693906

Cc1ccsc1-c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2B6 P20813 2/20 0.59
CYP2C19 P33261 2/20 0.59
PTGS1 P23219 11/20 0.51
MAPK14 Q16539 1/20 0.50
PTGS2 P35354 6/20 0.49
CYP2E1 P05181 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL13130594 0.89 CYP2A6 (0.61) CYP2A6CYP3A4CYP2B6CYP2C19PTGS1
SCHEMBL7163500 0.84 PTGS1 (0.58) CYP2A6CYP3A4CYP2B6CYP2C19PTGS1
SCHEMBL8076141 0.82 CYP2A6 (0.55) CYP2A6CYP3A4CYP2B6CYP2C19PTGS2
SCHEMBL8797216 0.80 PTGS2 (0.55) CYP2A6CYP3A4CYP2B6CYP2C19PTGS1
SCHEMBL10407505 0.78 CYP2A6 (0.52) CYP2A6CYP3A4CYP2B6CYP2C19PTGS2
SCHEMBL14640117 0.78 CYP2A6 (0.52) CYP2A6CYP3A4CYP2B6CYP2C19PTGS2
SCHEMBL2122531 0.78 CYP2A6 (0.58) CYP2A6CYP3A4CYP2B6CYP2C19PTGS2
SCHEMBL1821918 0.77 CYP2A6 (0.60) CYP2A6CYP3A4CYP2B6CYP2C19PTGS2
SCHEMBL694184 0.76 CYP2A6 (0.53) CYP2A6CYP3A4CYP2B6CYP2C19CYP2E1
SCHEMBL8796708 0.76 PTGS2 (0.55) CYP2A6CYP3A4CYP2B6CYP2C19PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-9777015-B2 Useful thiophene derivatives in the treatment of diabetes METABRAIN RESEARCH (FR) 2017-10-03 US disclosed
US-9777015-B2 Useful thiophene derivatives in the treatment of diabetes METABRAIN RESEARCH (FR) 2017-10-03 US disclosed
US-9777015-B2 Useful thiophene derivatives in the treatment of diabetes METABRAIN RESEARCH (FR) 2017-10-03 US disclosed
CN-104718200-B Thiophene derivant for treating diabetes 蒙塔博瑞恩研究公司 2016-11-09 CN disclosed
EP-2875010-B1 THIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES METABRAIN RES (FR) 2016-08-31 EP disclosed
EP-2875010-B1 THIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES METABRAIN RES (FR) 2016-08-31 EP disclosed
US-20150197530-A1 USEFUL THIOPHENE DERIVATIVES IN THE TREATMENT OF DIABETES METABRAIN RESEARCH (FR) 2015-07-16 US disclosed
US-20150197530-A1 USEFUL THIOPHENE DERIVATIVES IN THE TREATMENT OF DIABETES METABRAIN RESEARCH (FR) 2015-07-16 US disclosed
US-20150197530-A1 USEFUL THIOPHENE DERIVATIVES IN THE TREATMENT OF DIABETES METABRAIN RESEARCH (FR) 2015-07-16 US disclosed
US-20090093478-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.I.C. 2009-04-09 US disclosed
WO-2009016560-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 WO disclosed
US-20090029986-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-29 US disclosed
US-20090012073-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-08 US disclosed
US-7432270-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM P.L.C. (GB) 2008-10-07 US disclosed
EP-1956020-A2 1-[2-(heterocyclyl-aminomethyl)-piperidin-1-YL]-1-(2-methyl-5-phenyl-heterocyclyl)-methanone derivatives and related compounds as orexin-1 antagonists for the treatment of obesity SMITHKLINE BEECHAM PLC (GB) 2008-08-13 EP disclosed
US-20080188442-A1 Pyrazole-4-Carboxamide Derivatives as Microbiocides SYNGENTA CROP PROTECTION, INC. (US) 2008-08-07 US disclosed
US-20080188442-A1 Pyrazole-4-Carboxamide Derivatives as Microbiocides SYNGENTA CROP PROTECTION, INC. (US) 2008-08-07 US disclosed
WO-2007009717-A1 PYRAZOLE-4- CARBOXAMIDE DERIVATIVES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-01-25 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-20090012073-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB CYP2A6 227/4885CYP3A4 78/4885CYP2B6 42/4885
US-20090093478-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB CYP2A6 227/4885CYP3A4 78/4885CYP2B6 42/4885
US-20080188442-A1 Pyrazole-4-Carboxamide Derivatives as Microbiocides CD14, FPR1, FPR2 CYP2A6 234/4885CYP3A4 38/4885CYP2B6 65/4885
US-20090029986-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB CYP2A6 227/4885CYP3A4 78/4885CYP2B6 42/4885
US-20150197530-A1 USEFUL THIOPHENE DERIVATIVES IN THE TREATMENT OF DIABETES SLC5A2, SLC5A1, TPMT CYP2A6 577/4885CYP3A4 452/4885CYP2B6 605/4885

“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.