SCHEMBL8985454

SCHEMBL8985454

CS(=O)(=O)c1ccc(-c2cc(-c3csc(N)n3)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.63
PTGS1 P23219 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MT-CO1 P00395 1/20 0.57
MT-CO2 P00403 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57
CYP2C19 P33261 1/20 0.57
HSD17B10 Q99714 1/20 0.57
MAPK14 Q16539 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX5 P09917 1/20 0.47
RAB9A P51151 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
SCHEMBL8985450 0.86 PTGS2 (0.55) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985515 0.78 PTGS2 (1.00) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL127277 0.75 ALDH1A1 (0.56) PTGS2KDM4ECYP3A4ALDH1A1ALOX5
SCHEMBL8985247 0.73 PTGS2 (0.71) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL12496526 0.73 PTGS2 (0.58) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985266 0.73 PTGS2 (0.58) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985438 0.73 PTGS2 (0.72) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL10567845 0.73 PTGS2 (1.00) PTGS2PTGS1KDM4EMT-CO1MT-CO2
Dup-697 SCHEMBL1041241 0.73 PTGS2 (1.00) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985461 0.72 PTGS2 (0.68) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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