SCHEMBL8985205

SCHEMBL8985205

CS(=O)(=O)c1ccc(-c2cc(C(=O)O)sc2-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.55
PTGS1 P23219 3/20 0.46
MAPK14 Q16539 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MT-CO1 P00395 1/20 0.46
MT-CO2 P00403 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RAB9A P51151 1/20 0.43
OPRD1 P41143 1/20 0.42
AURKA O14965 1/20 0.41
ROCK2 O75116 1/20 0.41
CHEK2 O96017 1/20 0.41
CDK1 P06493 1/20 0.41
PIM1 P11309 1/20 0.41

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
SCHEMBL3246285 0.85 PTGS2 (0.51) PTGS2PTGS1MAPK14KDM4EMT-CO1
SCHEMBL8985275 0.84 MAPK14 (0.53) PTGS2PTGS1MAPK14RAB9AOPRD1
SCHEMBL8985304 0.84 PTGS2 (0.55) PTGS2PTGS1MAPK14KDM4EMT-CO1
SCHEMBL8985490 0.84 PTGS2 (0.67) PTGS2PTGS1MAPK14KDM4EMT-CO1
SCHEMBL8985520 0.84 MAPK14 (0.66) PTGS2PTGS1MAPK14RAB9AOPRD1
SCHEMBL8985432 0.83 MAPK14 (0.46) PTGS2PTGS1MAPK14KDM4ERAB9A
SCHEMBL8985340 0.81 PTGS2 (0.70) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985408 0.76 PTGS2 (0.52) PTGS2PTGS1MAPK14KDM4EMT-CO1
SCHEMBL8985337 0.76 PTGS2 (0.52) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985339 0.75 MAPK14 (0.67) PTGS2PTGS1MAPK14KDM4EMT-CO1

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