SCHEMBL8662912

SCHEMBL8662912

Cc1ccc(-c2cc(F)c(F)cc2-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.66
PTGS1 P23219 11/20 0.66
ALOX5AP P20292 4/20 0.47
FEN1 P39748 4/20 0.47

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
SCHEMBL8661194 0.88 PTGS2 (0.50) PTGS2PTGS1ALOX5APFEN1
SCHEMBL8661267 0.88 PTGS2 (0.64) PTGS2PTGS1ALOX5APFEN1
SCHEMBL8663453 0.88 PTGS2 (0.50) PTGS2PTGS1ALOX5APFEN1
SCHEMBL8659078 0.86 PTGS2 (0.66) PTGS2PTGS1ALOX5APFEN1
SCHEMBL8660058 0.86 PTGS2 (0.48) PTGS2PTGS1ALOX5APFEN1
SCHEMBL8661210 0.86 PTGS2 (0.55) PTGS2PTGS1ALOX5APFEN1
SCHEMBL8659788 0.86 PTGS2 (0.66) PTGS2PTGS1ALOX5APFEN1
SCHEMBL8662931 0.85 ALOX5AP (0.47) PTGS2PTGS1ALOX5APFEN1
SCHEMBL8659455 0.85 PTGS2 (0.54) PTGS2PTGS1ALOX5APFEN1
SCHEMBL8659613 0.85 ALOX5AP (0.56) 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