SCHEMBL7063652

SCHEMBL7063652

COC(=O)CS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1Sc1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.41
CA1 P00915 13/20 0.40
CA9 Q16790 10/20 0.40
CA12 O43570 6/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
ITGB2 P05107 2/20 0.37
ICAM1 P05362 2/20 0.37
ITGAL P20701 2/20 0.37
PTGES2 Q9H7Z7 1/20 0.37
NLRP3 Q96P20 1/20 0.36

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
SCHEMBL8098906 0.86 PTGS1 (0.43) CA2CA1CA9CA12PTGS1
SCHEMBL8107826 0.83 CA2 (0.42) CA2CA1CA9CA12PTGS1
SCHEMBL8100682 0.82 PTGES2 (0.42) CA2CA1CA9CA12PTGS1
SCHEMBL4575696 0.81 PTGS1 (0.56) CA2CA1CA9CA12PTGS1
SCHEMBL7063507 0.80 CA2 (0.44) CA2CA1CA9CA12PTGS1
SCHEMBL8101068 0.78 PTGS1 (0.43) CA2CA1CA9CA12PTGS1
SCHEMBL8107827 0.77 CA2 (0.48) CA2CA1CA9CA12PTGS1
SCHEMBL7067324 0.76 CA2 (0.41) CA2CA1CA9CA12PTGS1
SCHEMBL8099469 0.76 CA2 (0.63) CA2CA1CA9PTGS1PTGS2
SCHEMBL8481841 0.76 CA2 (0.63) CA2CA1CA9PTGS1PTGS2

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-0968180-B1 SUBSTITUTED DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLOOXYGENASE II NYCOMED AUSTRIA GMBH (AT) 2003-06-04 EP claimed
EP-0968180-B1 SUBSTITUTED DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLOOXYGENASE II NYCOMED AUSTRIA GMBH (AT) 2003-06-04 EP disclosed
EP-0968180-A1 SUBSTITUTED DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLOOXYGENASE II Nycomed Austria GmbH (AT) 2000-01-05 EP disclosed
WO-1998033769-A1 SUBSTITUTED DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLOOXYGENASE II NYCOMED AUSTRIA GMBH (AT) 1998-08-06 WO disclosed