SCHEMBL6464910

SCHEMBL6464910

CC(c1ccc2c(c1)OC(C(F)(F)F)C(C(=O)O)=C2)S(C)(=O)=O

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.58
PTGS1 P23219 12/20 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
SCHEMBL216256 0.88 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL6091941 0.88 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL5645790 0.83 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL6093834 0.78 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL6092626 0.78 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL6092661 0.78 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL6092668 0.78 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL5648151 0.78 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL27918723 0.77 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL5708992 0.76 PTGS2 (0.67) 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-1572186-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF HERPES VIRUS INFECTIONS USING CYCLOOXYGENASE-2 SELECTIVE INHIBITORS OR CYCLOOXYGENASE-2 INHIBITORS IN COMBINATION WITH ANTIVIRAL AGENTS Pharmacia Corporation (US) 2005-09-14 EP disclosed
WO-2004056349-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF HERPES VIRUS INFECTIONS USING CYCLOOXYGENASE-2 SELECTIVE INHIBITORS OR CYCLOOXYGENASE-2 INHIBITORS IN COMBINATION WITH ANTIVIRAL AGENTS PHARMACIA CORPORATION (US) 2004-07-08 WO disclosed