SCHEMBL8985255

SCHEMBL8985255

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

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.45
OPRD1 P41143 1/20 0.37
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL8985529 0.83
SCHEMBL8985332 0.83 PTGS1 (0.43) PTGS1PTGS2
SCHEMBL8985338 0.82 MAPK14 (0.46) MAPK14OPRD1PTGS1PTGS2
SCHEMBL8985378 0.80 PGR (0.33) PTGS2
SCHEMBL8985478 0.79 MAPK14 (0.48) MAPK14OPRD1PTGS1PTGS2
SCHEMBL8985373 0.79 OPRD1 (0.61) MAPK14OPRD1PTGS1PTGS2
SCHEMBL8985252 0.79 MAPK14 (0.44) MAPK14OPRD1PTGS1PTGS2
SCHEMBL8985472 0.73 AURKA (0.48) OPRD1PTGS1PTGS2
SCHEMBL8985449 0.72 OPRD1 (0.38) MAPK14OPRD1PTGS1PTGS2
SCHEMBL8985407 0.70 MAPK14 (0.51) MAPK14OPRD1PTGS1PTGS2

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 2 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