SCHEMBL6153552

SCHEMBL6153552

CN[S+]([O-])c1ccc2c(c1)C=C(C(=O)O)C(C(F)(F)F)O2

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.65
PTGS1 P23219 10/20 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
SCHEMBL6094047 0.87 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL6063515 0.87 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL5694265 0.85 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL8297099 0.80 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL5645395 0.79 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5642882 0.79 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5644512 0.79 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6596082 0.79 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL27628401 0.78 PTGS2 (0.97) PTGS2PTGS1
SCHEMBL27628664 0.78 PTGS2 (0.97) 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-1499315-A1 COMBINATION OF CYCLOOXYGENASE-2 INHIBITORS AND THALIDOMIDE FOR THE TREATMENT OF NEOPLASIA Pharmacia Corporation (US) 2005-01-26 EP disclosed
WO-2003092691-A1 COMBINATION OF CYCLOOXYGENASE-2 INHIBITORS AND THALIDOMIDE FOR THE TREATMENT OF NEOPLASIA PHARMACIA COPORATION (US) 2003-11-13 WO disclosed