SCHEMBL7872129

SCHEMBL7872129

Cc1cccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)c1.Cc1cccc(-c2nc(C(F)(F)F)cn2NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.76
PTGS1 P23219 5/20 0.76

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
SCHEMBL214198 0.87 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL215075 0.82 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8028157 0.80 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL5594618 0.80 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7158835 0.80 PTGS2 (0.95) PTGS2PTGS1
SCHEMBL4213783 0.79 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL5594124 0.79 PTGS2 (1.00) PTGS2PTGS1
Sulfamide SCHEMBL4639682 0.79 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL5594526 0.78 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5594259 0.78 PTGS2 (1.00) 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 5 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
JP-2001505564-A 2001-04-24 JP 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-0941080-A2 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS AS ANTI-ANGIOGENIC AGENTS G.D. SEARLE & CO. (US) 1999-09-15 EP claimed
WO-1998022101-A2 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS AS ANTI-ANGIOGENIC AGENTS G.D. SEARLE & CO. (US) 1998-05-28 WO claimed