SCHEMBL8660146

SCHEMBL8660146

COc1c(Cl)cc(-c2cc3c(cc2-c2ccccc2S(N)(=O)=O)OCO3)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.47
PTGS1 P23219 7/20 0.42
F10 P00742 2/20 0.37
PTGES2 Q9H7Z7 1/20 0.37
ALDH1A1 P00352 2/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 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
SCHEMBL8657255 0.87 CA9 (0.44) PTGS2PTGS1F10CA12CA2
SCHEMBL8661288 0.87 PTGS2 (0.39) PTGS2PTGS1F10ALDH1A1SMN1; SMN2
SCHEMBL8661053 0.87 PTGS2 (0.40) PTGS2PTGS1F10PTGES2ALDH1A1
SCHEMBL8661240 0.87 PTGS2 (0.42) PTGS2PTGS1F10PTGES2ALDH1A1
SCHEMBL8659929 0.87 PTGS2 (0.58) PTGS2PTGS1PTGES2SMN1; SMN2KDM4E
SCHEMBL8657315 0.86 PTGS2 (0.43) PTGS2PTGS1F10ALDH1A1CA12
SCHEMBL8661261 0.86 PTGS1 (0.40) PTGS2PTGS1F10PTGES2ALDH1A1
SCHEMBL8661454 0.85 ABL1 (0.41) PTGS2PTGS1F10PTGES2ALDH1A1
SCHEMBL8656159 0.85 PTGS2 (0.43) PTGS2PTGS1F10PTGES2CA12
SCHEMBL8661650 0.84 PTGS2 (0.46) PTGS2PTGS1F10PTGES2MAPT

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