Sugi Predict

Sugi Predict / Compounds / SCHEMBL8092719

SCHEMBL8092719

SCHEMBL8092719

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

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 1/20 0.47
▸ CA2 P00918 7/20 0.46
▸ CA1 P00915 6/20 0.46
▸ CA9 Q16790 6/20 0.46
▸ PTGS2 P35354 11/20 0.45
▸ PTGS1 P23219 7/20 0.43

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
SCHEMBL8092684 0.88 PTGS2 (0.49) MALT1CA2CA1CA9PTGS2
SCHEMBL8421043 0.82 CA2 (0.43) CA2CA1CA9PTGS2PTGS1
SCHEMBL8099827 0.81 PTGS2 (0.48) MALT1CA2CA1CA9PTGS2
SCHEMBL8094362 0.76 PTGS2 (0.59) CA2CA1CA9PTGS2PTGS1
SCHEMBL8093803 0.73 PTGS2 (0.58) CA2CA1CA9PTGS2PTGS1
SCHEMBL8094395 0.73 PTGS2 (0.58) MALT1PTGS2PTGS1
SCHEMBL8095061 0.72 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL8419971 0.70 PTGS2 (0.48) CA2CA1CA9PTGS2PTGS1
SCHEMBL8085997 0.70 PTGS2 (0.68) CA2CA1CA9PTGS2PTGS1
SCHEMBL8421041 0.70 F10 (0.38) MALT1CA2CA9

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