SCHEMBL5698656

SCHEMBL5698656

CCCCCc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.62
PTGS1 P23219 3/20 0.52

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
SCHEMBL5698665 0.86 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL7216760 0.80 PTGS2 (0.59) PTGS2
SCHEMBL2466118 0.78 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL5309102 0.77 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5312028 0.77 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5311654 0.76 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL5311840 0.76 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL28249029 0.75 CHRNA7 (0.57) PTGS2PTGS1
SCHEMBL5311718 0.74 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL5314089 0.74 PTGS2 (0.69) 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