SCHEMBL8101145

SCHEMBL8101145

CS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1Sc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.45
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 1/20 0.44
PTGS2 P35354 4/20 0.42
FFAR4 Q5NUL3 2/20 0.42
PTGS1 P23219 1/20 0.40
ABL1 P00519 2/20 0.39
BCR P11274 2/20 0.39
CA2 P00918 6/20 0.39
CA1 P00915 3/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
DHFR P00374 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL8092113 0.86 PTGS2 (0.56) PTGS2FFAR4PTGS1CA2CA1
SCHEMBL8100672 0.85 SLC6A4 (0.58) KIF11SLC6A4SLC6A3PTGS2CA2
SCHEMBL8101207 0.81 PTGS2 (0.54) SLC6A4PTGS2PTGS1CA2CA1
SCHEMBL8100934 0.81 CA2 (0.44) SLC6A4PTGS2PTGS1CA2CA1
SCHEMBL8091413 0.80 PTGS2 (0.56) SLC6A4PTGS2PTGS1CA2CA1
SCHEMBL8101193 0.76 CA2 (0.43) SLC6A4SLC6A3PTGS2PTGS1CA2
SCHEMBL8107618 0.73 NR3C1 (0.42) SLC6A4PTGS2PTGS1CA2CA1
SCHEMBL8101785 0.72 CA2 (0.48) KIF11SLC6A4SLC6A3PTGS2PTGS1
SCHEMBL1137645 0.71 PTGS2 (0.65) KIF11SLC6A4SLC6A3PTGS2FFAR4
SCHEMBL8099531 0.70 CA1 (0.41) PTGS2FFAR4CA2CA1CA12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0848703-B1 DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLO-OXYGENASE II NYCOMED AUSTRIA GMBH (AT) 2000-09-27 EP disclosed
US-6004948-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION NYCOMED AUSTRIA GMBH (AT) 1999-12-21 US disclosed
EP-0848703-A1 DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLO-OXYGENASE II Nycomed Austria GmbH (AT) 1998-06-24 EP disclosed
WO-1997003953-A1 DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLO-OXYGENASE II NYCOMED AUSTRIA GMBH (AT) 1997-02-06 WO disclosed