SCHEMBL7868339

SCHEMBL7868339

CS(=O)(=O)c1ccc(-c2cc(C#N)c(-c3ccccc3)nc2-c2ccc(F)cc2)cc1.Cc1ccnc(-c2nc(C(F)(F)F)cn2NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.45
PTGS1 P23219 6/20 0.39
SCN9A Q15858 2/20 0.39
MAPK14 Q16539 1/20 0.37

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
SCHEMBL8596028 0.88 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL7773790 0.83 PTGS2 (0.42) PTGS2PTGS1SCN9A
SCHEMBL215180 0.78 PTGS2 (0.54) PTGS2PTGS1
Benzenesulfonamide SCHEMBL7049598 0.75 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL8093805 0.70 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL7872129 0.69 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL8098107 0.69 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL8095222 0.68 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL7860657 0.67 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL8346344 0.67 PTGS2 (0.55) 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-1140181-A1 COMBINATION THERAPY OF RADIATION AND A COX-2 INHIBITOR FOR THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP claimed
WO-2000038716-A1 COMBINATION THERAPY OF RADIATION AND A COX-2 INHIBITOR FOR THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO claimed
EP-0979077-A1 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS IN THE PREVENTION OF CARDIOVASCULAR DISORDERS G.D. Searle & Co. (US) 2000-02-16 EP disclosed
WO-1998047509-A1 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS IN THE PREVENTION OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1998-10-29 WO disclosed