SCHEMBL8095044

SCHEMBL8095044

CCCCOc1nc(-c2ccc(OC)c(F)c2)c(-c2ccc(S(N)(=O)=O)cc2)cc1CO

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.64
PTGS1 P23219 13/20 0.64

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
SCHEMBL8086507 0.92 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL8093803 0.89 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL8093078 0.87 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL8092716 0.86 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL8094362 0.84 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL8085997 0.84 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL8100751 0.83 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8776828 0.83 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL8419785 0.83 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL8094676 0.82 PTGS2 (0.61) 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 6 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 claimed
EP-0808304-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-11-26 EP claimed
WO-1996024584-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-15 WO claimed
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