SCHEMBL7114451

SCHEMBL7114451

CS(=O)(=O)c1ncccc1-c1nc(C(F)(F)F)cn1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.80
PTGS1 P23219 7/20 0.69

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
SCHEMBL215052 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5594051 0.83 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5594665 0.82 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5604428 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8797587 0.80 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL5594720 0.80 PTGS2 (1.00) PTGS2PTGS1
Sulfamide SCHEMBL4639044 0.79 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL5594264 0.79 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL5604642 0.77 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5594456 0.76 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 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