SCHEMBL7054900

SCHEMBL7054900

CS(=O)(=O)S(=O)(=O)c1ccc(-c2nc(C(F)(F)F)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.81
PTGS1 P23219 2/20 0.81

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
SCHEMBL6445471 1.00 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL214754 0.90 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL214771 0.90 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8797450 0.85 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL7847486 0.85 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL7846292 0.85 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL11565385 0.84 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL7833896 0.80 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7842256 0.79 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL7844540 0.79 PTGS2 (0.79) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480637-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BISPHOSPHONATE AND A COX-2 INHIBITOR FOR THE TREATMENT OF BONE DISEASES Novartis AG (CH) 2004-12-01 EP disclosed
WO-2003072097-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BISPHOSPHONATE AND A COX-2 INHIBITOR FOR THE TREATMENT OF BONE DISEASES NOVARTIS AG (CH) 2003-09-04 WO disclosed