Sugi Predict

Sugi Predict / Compounds / SCHEMBL7620133

SCHEMBL7620133

SCHEMBL7620133

CCC(O)c1cccc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cc(Cl)cc2C(C)C)c1.CCC(O)c1cccc(S(N)(=O)=O)c1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 5/20 0.74
▸ FBP1 P09467 2/20 0.43
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA9 Q16790 2/20 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
SCHEMBL7139456 0.95 NLRP3 (0.82) NLRP3FBP1
SCHEMBL7142667 0.89 NLRP3 (0.74) NLRP3FBP1CA12CA1CA2
SCHEMBL7144307 0.88 NLRP3 (0.80) NLRP3FBP1
SCHEMBL7619255 0.87 NLRP3 (0.72) NLRP3FBP1CA12CA1CA2
SCHEMBL6513806 0.86 NLRP3 (1.00) NLRP3FBP1
SCHEMBL7145814 0.85 NLRP3 (0.76) NLRP3FBP1
SCHEMBL7616938 0.85 NLRP3 (0.69) NLRP3FBP1CA12CA1CA2
SCHEMBL7612024 0.85 NLRP3 (0.69) NLRP3FBP1CA12CA1CA2
SCHEMBL7144442 0.85 NLRP3 (0.85) NLRP3FBP1
SCHEMBL7612300 0.85 NLRP3 (0.66) NLRP3FBP1CA12CA1CA2

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
EP-1214087-A1 COMBINATION TREATMENT WITH IL-1RA AND COMPOUNDS THAT INHIBIT IL-1 PROCESSING AND RELEASE Pfizer Products Inc. (US) 2002-06-19 — — EP disclosed
WO-2001019390-A1 COMBINATION TREATMENT WITH IL-1RA AND DIARYL SULPHONYL UREA COMPOUNDS PFIZER PRODUCTS INC. (US) 2001-03-22 — — WO disclosed