SCHEMBL8985275

SCHEMBL8985275

CCOC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.53
PRKCZ Q05513 1/20 0.49
PTGS2 P35354 6/20 0.49
AR P10275 3/20 0.47
PTGS1 P23219 1/20 0.46
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 1/20 0.44
CA9 Q16790 1/20 0.44
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
OPRD1 P41143 1/20 0.43
USP10 Q14694 1/20 0.42

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
SCHEMBL8985473 0.86 MAPK14 (0.56) MAPK14PRKCZPTGS2PTGS1GAA
SCHEMBL8985279 0.85 MAPK14 (0.53) MAPK14PRKCZARGAARAB9A
SCHEMBL8985205 0.84 PTGS2 (0.55) MAPK14PTGS2PTGS1RAB9AOPRD1
SCHEMBL8985434 0.81 MAPK14 (0.52) MAPK14PTGS2ARPTGS1GAA
SCHEMBL8985406 0.81 MAPK14 (0.51) MAPK14PTGS2PTGS1GAAOPRD1
SCHEMBL8985407 0.81 MAPK14 (0.51) MAPK14PRKCZPTGS2PTGS1GAA
SCHEMBL8985340 0.76 PTGS2 (0.70) PTGS2PTGS1CA9
SCHEMBL6018669 0.75 MAPK14 (0.65) MAPK14GAARAB9AMAPTOPRD1
SCHEMBL7617599 0.74 PTGS2 (0.64) PTGS2PTGS1GAARAB9AMAPT
SCHEMBL28446734 0.73 MEN1 (0.51) PRKCZPTGS2ARMAPT

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