SCHEMBL8100672

SCHEMBL8100672

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

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.58
SLC6A2 P23975 2/20 0.50
SLC6A3 Q01959 1/20 0.50
KIF11 P52732 5/20 0.44
PTGS2 P35354 4/20 0.43
PTGES2 Q9H7Z7 2/20 0.41
CA2 P00918 5/20 0.41
CA1 P00915 2/20 0.41
CA12 O43570 1/20 0.41
MAPT P10636 1/20 0.41
CA9 Q16790 1/20 0.41
SLC22A12 Q96S37 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
SCHEMBL8101145 0.85 KIF11 (0.45) SLC6A4SLC6A3KIF11PTGS2PTGES2
SCHEMBL8101785 0.84 CA2 (0.48) SLC6A4SLC6A2SLC6A3KIF11PTGS2
SCHEMBL8101207 0.84 PTGS2 (0.54) SLC6A4PTGS2CA2CA1CA12
SCHEMBL8100934 0.84 CA2 (0.44) SLC6A4PTGS2CA2CA1CA12
SCHEMBL8091413 0.83 PTGS2 (0.56) SLC6A4PTGS2CA2CA1CA12
SCHEMBL8092113 0.81 PTGS2 (0.56) PTGS2CA2CA1CA12CA9
SCHEMBL28399083 0.81 PTGS2 (0.55) SLC6A4SLC6A2SLC6A3KIF11PTGS2
SCHEMBL8101193 0.79 CA2 (0.43) SLC6A4SLC6A2SLC6A3PTGS2PTGES2
SCHEMBL8107618 0.76 NR3C1 (0.42) SLC6A4SLC6A2PTGS2PTGES2CA2
SCHEMBL8101100 0.72 CA2 (0.44) PTGS2CA2CA1CA12CA9

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