SCHEMBL5698682

SCHEMBL5698682

CS(=O)(=O)c1ccc(-c2cn(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(Cl)cc3)n2)cc1

nearest known ligand 0.90

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.90
PTGS1 P23219 3/20 0.71

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
SCHEMBL5594789 1.00 PTGS2 (0.90) PTGS2PTGS1
SCHEMBL3243606 1.00 PTGS2 (0.90) PTGS2PTGS1
SCHEMBL5594726 0.95 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL213892 0.95 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5594244 0.94 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL1930674 0.94 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL5594163 0.94 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL5594309 0.94 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL3245005 0.94 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL5594771 0.94 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682143-A2 COMBINATIONS COMPRISING AN HSP90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA Pharmacia Corporation (US) 2006-07-26 EP disclosed
WO-2005041879-A2 COMBINATIONS COMPRISING AN Hsp90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA PHARMACIA CORPORATION (US) 2005-05-12 WO disclosed