SCHEMBL5698556

SCHEMBL5698556

CS(=O)(=O)Cc1cn(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(Cl)cc2)n1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.78
PTGS1 P23219 3/20 0.65

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
SCHEMBL5593864 0.90 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL5594627 0.90 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL5594991 0.89 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL5593954 0.89 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL5594852 0.89 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL5594584 0.88 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5594021 0.88 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8884605 0.88 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL5594332 0.88 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5594695 0.86 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 4 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-2005044194-A2 TREATMENT OR PREVENTION OF NEOPLASIA BY USE OF AN Hsp90 INHIBITOR PHARMACIA CORPORATION (US) 2005-05-19 WO 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
US-5616601-A 1,2-aryl and heteroaryl substituted imidazolyl compounds for the treatment of inflammation GD SEARLE & CO (US) 1997-04-01 US disclosed