SCHEMBL8097094

SCHEMBL8097094

CS(=O)(=O)c1ccc(-c2cc(C#N)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.70
PTGS1 P23219 3/20 0.67
KDM4E B2RXH2 1/20 0.67
MT-CO1 P00395 1/20 0.67
MT-CO2 P00403 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2C9 P11712 1/20 0.67
HPGD P15428 1/20 0.67
TSHR P16473 1/20 0.67
CYP2C19 P33261 1/20 0.67
HSD17B10 Q99714 1/20 0.67

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
SCHEMBL8985456 0.84 PTGS2 (0.51) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985270 0.81 PTGS2 (0.69) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL10567845 0.81 PTGS2 (1.00) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985515 0.81 PTGS2 (1.00) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985438 0.81 PTGS2 (0.72) PTGS2PTGS1KDM4EMT-CO1MT-CO2
Dup-697 SCHEMBL1041241 0.81 PTGS2 (1.00) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985195 0.80 PTGS2 (0.47) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985189 0.79 PTGS2 (0.49) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985410 0.79 PTGS2 (0.66) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985504 0.79 PTGS2 (0.66) PTGS2PTGS1KDM4EMT-CO1MT-CO2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6048890-A WHICH DO NOT CAUSE LESIONS OF DIGESTIVE ORGANS KAKEN PHARMACEUTICAL CO., LTD. (JP) 2000-04-11 US disclosed
EP-0811620-A1 PHENYLAMIDINOTHIOPHENE DERIVATIVES AND ANTIPHLOGISTIC AGENT CONTAINING THE SAME Kaken Pharmaceutical Co., Ltd. (JP) 1997-12-10 EP disclosed
US-5571810-A ANTIINFLAMMATORY AGENTS, ANALGESICS, COLLAGEN DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-05 US disclosed
EP-0593761-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed
WO-1991019708-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-26 WO disclosed