SCHEMBL8663553

SCHEMBL8663553

NS(=O)(=O)c1ccccc1-c1cc2c(cc1-c1ccc(F)c(F)c1)OCO2

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.55
PTGS1 P23219 7/20 0.55
ALOX5AP P20292 6/20 0.47
FEN1 P39748 6/20 0.47
F10 P00742 2/20 0.45
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PTPRC P08575 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
SCHEMBL8663413 0.90 PTGS2 (0.69) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8659269 0.89 PTGS2 (0.50) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8659420 0.89 PTGS2 (0.55) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8659195 0.89 PTGS2 (0.49) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8661262 0.89 PTGS2 (0.49) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8661800 0.89 PTGS2 (0.47) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8662987 0.88 PTGS2 (0.46) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8659713 0.87 PTGS2 (0.47) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8658491 0.87 PTGS2 (0.47) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8659720 0.87 PTGS2 (0.58) 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