Sugi Predict

Sugi Predict / Compounds / SCHEMBL7617337

SCHEMBL7617337

SCHEMBL7617337

CC(C)c1cc(C(N)=O)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1cccc(C(C)O)c1.CC(O)c1cccc(S(N)(=O)=O)c1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 6/20 0.71
▸ FBP1 P09467 1/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA9 Q16790 1/20 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
SCHEMBL7139281 0.96 NLRP3 (0.77) NLRP3FBP1
SCHEMBL7611930 0.91 NLRP3 (0.74) NLRP3CA2CA12CA1CA9
SCHEMBL7620097 0.87 NLRP3 (0.70) NLRP3FBP1CA2CA12CA1
SCHEMBL7610767 0.86 NLRP3 (0.68) NLRP3FBP1CA2CA12CA1
SCHEMBL7144339 0.85 NLRP3 (0.83) NLRP3
SCHEMBL7140560 0.83 NLRP3 (0.80) NLRP3FBP1
SCHEMBL6513806 0.83 NLRP3 (1.00) NLRP3FBP1
SCHEMBL7140501 0.81 NLRP3 (0.75) NLRP3CA2CA12CA1CA9
SCHEMBL7137840 0.81 NLRP3 (0.77) NLRP3FBP1
Hydrochloric Acid SCHEMBL7623266 0.81 NLRP3 (0.65) NLRP3CA2CA12CA1CA9

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