SCHEMBL7848159

SCHEMBL7848159

COc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)cnn(CC(F)(F)F)c2=O)cc1F.CS(=O)(=O)c1ccc(-c2cnn(CC(F)(F)F)c(=O)c2-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.64
PTGS1 P23219 10/20 0.47
PTGIR P43119 1/20 0.44

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
SCHEMBL4188958 0.92 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL4184282 0.91 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL4188762 0.82 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL4199071 0.81 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL4180376 0.80 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL4194365 0.80 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL4180640 0.80 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL6601032 0.79 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7526467 0.79 PTGS2 (0.91) PTGS2PTGS1
SCHEMBL4190051 0.79 PTGS2 (0.72) 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-1124804-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-08-22 EP claimed
WO-2000024719-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2000-05-04 WO claimed