SCHEMBL8092684

SCHEMBL8092684

COc1cc(F)cc(-c2nc(OC)c(CO)cc2-c2ccc(S(N)(=O)=O)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.49
PTGS1 P23219 8/20 0.49
CA2 P00918 6/20 0.46
CA9 Q16790 6/20 0.46
CA1 P00915 5/20 0.46
MALT1 Q9UDY8 1/20 0.41

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
SCHEMBL8092719 0.88 MALT1 (0.47) PTGS2PTGS1CA2CA9CA1
SCHEMBL8099827 0.85 PTGS2 (0.48) PTGS2PTGS1CA2CA9CA1
SCHEMBL8419971 0.82 PTGS2 (0.48) PTGS2PTGS1CA2CA9CA1
SCHEMBL8095061 0.76 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL8094362 0.76 PTGS2 (0.59) PTGS2PTGS1CA2CA9CA1
SCHEMBL8093078 0.76 PTGS2 (0.83) PTGS2PTGS1CA2CA9CA1
SCHEMBL8095044 0.73 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL8094700 0.73 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL8093195 0.70 PTGS2 (0.47) PTGS2PTGS1CA2CA9CA1
SCHEMBL8085997 0.70 PTGS2 (0.68) PTGS2PTGS1CA2CA9CA1

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