SCHEMBL6149802

SCHEMBL6149802

CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2NS(=O)(=O)c2ccccc2)cc1.Cc1ncccc1-c1nc(C(F)(F)F)cn1-c1ccccc1S(N)(=O)=O

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.62
PTGS1 P23219 4/20 0.47

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
SCHEMBL8346348 0.83 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL5594051 0.79 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL215052 0.76 PTGS2 (1.00) PTGS2PTGS1
Sulfamide SCHEMBL4639044 0.75 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL7773789 0.74 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL8025367 0.74 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL8028157 0.73 PTGS2 (0.77) PTGS2PTGS1
Benzenesulfonamide SCHEMBL7048970 0.72 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL5069859 0.71 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL7114451 0.71 PTGS2 (0.80) PTGS2PTGS1

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-1575581-A1 COMBINATIONS OF VALSARTAN WITH COX-2 INHIBITORS Novartis AG (CH) 2005-09-21 EP disclosed
EP-1443967-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION Novartis AG (CH) 2004-08-11 EP disclosed
WO-2004054575-A1 COMBINATIONS OF VALSARTAN WITH COX-2 INHIBITORS NOVARTIS AG (CH) 2004-07-01 WO disclosed
WO-2003039599-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION NOVARTIS AG (CH) 2003-05-15 WO disclosed