SCHEMBL8100796

SCHEMBL8100796

COc1ccc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(OC)c(F)c2)n1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.66
PTGS1 P23219 15/20 0.66

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
SCHEMBL8100751 0.88 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8086584 0.87 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL8099203 0.86 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL6725750 0.80 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL21561303 0.79 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL27430932 0.79 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL6725509 0.79 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8086517 0.78 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL8549849 0.77 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL7841871 0.76 PTGS2 (1.00) 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-0808304-B1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2000-12-27 EP disclosed
EP-0808304-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-11-26 EP disclosed
WO-1996024584-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-15 WO disclosed