SCHEMBL8985243

SCHEMBL8985243

CC(NC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)s1)N(C)C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.57
PTGS1 P23219 5/20 0.55
KDM4E B2RXH2 1/20 0.54
MT-CO1 P00395 1/20 0.54
MT-CO2 P00403 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
CYP2C19 P33261 1/20 0.54
HSD17B10 Q99714 1/20 0.54
IKBKB O14920 1/20 0.45
MAPK14 Q16539 1/20 0.45

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
SCHEMBL8985244 0.89 PTGS2 (0.62) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985386 0.83 PTGS2 (0.63) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985290 0.81 PTGS2 (0.63) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985457 0.81 PTGS2 (0.63) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985461 0.81 PTGS2 (0.68) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985283 0.81 PTGS2 (0.59) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985245 0.80 PTGS2 (0.54) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985518 0.80 PTGS2 (0.64) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985321 0.80 MAPK14 (0.68) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985490 0.80 PTGS2 (0.67) 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