Sugi Predict

Sugi Predict / Compounds / SCHEMBL8033030

SCHEMBL8033030

SCHEMBL8033030

COc1ccc(-c2cc(C(N)=O)nn2-c2ccc(S(N)(=O)=O)c(CO)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 17/20 0.72
▸ CHRNA7 P36544 1/20 0.58
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ RPA1 P27694 1/20 0.50

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
SCHEMBL8032930 0.87 PTGS2 (0.75) PTGS2CHRNA7CA1CA2CA9
SCHEMBL8033327 0.87 PTGS2 (0.69) PTGS2CA1CA2CA9
SCHEMBL8037460 0.86 PTGS2 (0.64) PTGS2CHRNA7CA1CA2CA9
SCHEMBL8023934 0.85 PTGS2 (0.73) PTGS2CHRNA7CA1CA2CA9
SCHEMBL8039325 0.84 PTGS2 (0.75) PTGS2CA1CA2CA9
SCHEMBL8023286 0.84 PTGS2 (0.72) PTGS2CHRNA7CA1CA2CA9
SCHEMBL896892 0.83 PTGS2 (1.00) PTGS2
SCHEMBL8023297 0.83 PTGS2 (0.73) PTGS2CA1CA2CA9
SCHEMBL8023493 0.83 PTGS2 (0.70) PTGS2CA1CA2CA9
SCHEMBL15070223 0.83 PTGS2 (0.69) PTGS2CHRNA7CA1CA2CA9

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
WO-2000066562-A1 PYRAZOLES HAVING ANTIINFLAMMATORY ACTIVITY DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-09 — — WO claimed
WO-2000066562-A1 PYRAZOLES HAVING ANTIINFLAMMATORY ACTIVITY DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-09 — — WO disclosed
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