SCHEMBL8660167

SCHEMBL8660167

Cc1cc(-c2cc(F)c(F)cc2-c2ccccc2S(N)(=O)=O)cc(C)c1C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.49
PTGS1 P23219 9/20 0.49
ALOX5AP P20292 6/20 0.43
FEN1 P39748 6/20 0.43
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL8661284 0.91 PTGS2 (0.49) PTGS2PTGS1ALOX5APFEN1
SCHEMBL8662931 0.90 ALOX5AP (0.47) PTGS2PTGS1ALOX5APFEN1
SCHEMBL8660245 0.89 PTGS2 (0.50) PTGS2PTGS1ALOX5APFEN1
SCHEMBL8659078 0.87 PTGS2 (0.66) PTGS2PTGS1ALOX5APFEN1
SCHEMBL8659788 0.87 PTGS2 (0.66) PTGS2PTGS1ALOX5APFEN1
SCHEMBL8661194 0.87 PTGS2 (0.50) PTGS2PTGS1ALOX5APFEN1
SCHEMBL8659292 0.87 PTGS2 (0.45) PTGS2PTGS1ALOX5APFEN1CA12
SCHEMBL8661297 0.87 PTGS2 (0.49) PTGS2PTGS1ALOX5APFEN1
SCHEMBL8659136 0.86 CA1 (0.44) PTGS2PTGS1ALOX5APFEN1CA12
SCHEMBL8661274 0.86 PTGS2 (0.50) PTGS2PTGS1ALOX5APFEN1

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-5739166-A ALKYLSULFONYL OR AMINOSULFONYL SUBSTITUTED AROMATIC COMPOUNDS AS NON-STEROIDAL ANTIINFLAMMATORY AGENT G.D. SEARLE & CO. (US) 1998-04-14 US claimed
US-5739166-A ALKYLSULFONYL OR AMINOSULFONYL SUBSTITUTED AROMATIC COMPOUNDS AS NON-STEROIDAL ANTIINFLAMMATORY AGENT G.D. SEARLE & CO. (US) 1998-04-14 US disclosed