SCHEMBL5698533

SCHEMBL5698533

Cc1noc(-c2ccc(F)cc2)c1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.63
PTGS1 P23219 1/20 0.56

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
SCHEMBL6169214 0.87 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL6169079 0.87 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL6168058 0.87 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL6168185 0.87 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL6513072 0.86 PTGS2 (0.56) PTGS2
SCHEMBL27515857 0.78 MAPK10 (0.45) PTGS2PTGS1
SCHEMBL6512570 0.78 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL4587749 0.77 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6167941 0.77 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6169868 0.75 CA2 (0.56) 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 3 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