SCHEMBL8659596

SCHEMBL8659596

NS(=O)(=O)c1ccccc1-c1ccccc1-c1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.49
PTGS1 P23219 3/20 0.49
PTGES2 Q9H7Z7 3/20 0.47
ALOX5AP P20292 3/20 0.41
FEN1 P39748 3/20 0.41
F10 P00742 3/20 0.41
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
SCN9A Q15858 2/20 0.41
AR P10275 1/20 0.40
TRPV1 Q8NER1 3/20 0.40
KIF11 P52732 1/20 0.40

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
SCHEMBL8657430 0.90 PTGS2 (0.49) PTGS2PTGS1PTGES2ALOX5APFEN1
SCHEMBL8657037 0.89 PTGES2 (0.47) PTGS2PTGS1PTGES2ALOX5APFEN1
SCHEMBL6725730 0.85 PTGS2 (0.68) PTGS2PTGS1KIF11
SCHEMBL8660173 0.85 KIF11 (0.57) PTGS2PTGS1ALOX5APFEN1KIF11
SCHEMBL8659133 0.85 FABP4 (0.45) PTGS2PTGS1PTGES2ALOX5APFEN1
SCHEMBL8662914 0.84 ALOX5AP (0.41) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8658257 0.84 PTGS1 (0.41) PTGS2PTGS1PTGES2ALOX5APFEN1
SCHEMBL8657983 0.83 PTGS2 (0.45) PTGS2PTGS1PTGES2ALOX5APFEN1
SCHEMBL8662806 0.83 PTGES2 (0.64) PTGS2PTGS1PTGES2ALOX5APFEN1
SCHEMBL8660169 0.82 ALOX5AP (0.48) PTGS2PTGS1ALOX5APFEN1F10

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