SCHEMBL7622602

SCHEMBL7622602

CC(C)c1cc(Cl)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1cc(C(C)O)cs1.CC(O)c1csc(S(N)(=O)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 7/20 0.58
CA2 P00918 3/20 0.39
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35

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
SCHEMBL7147007 0.95 NLRP3 (0.63) NLRP3
SCHEMBL7621828 0.86 CA2 (0.53) NLRP3CA2
SCHEMBL7137327 0.80 NLRP3 (0.52) NLRP3CA2
SCHEMBL7619071 0.79 NLRP3 (0.71) NLRP3CA2
SCHEMBL7137679 0.79 NLRP3 (0.66) NLRP3CA2
SCHEMBL7142139 0.77 NLRP3 (0.79) NLRP3
SCHEMBL7139273 0.76 NLRP3 (0.48) NLRP3
SCHEMBL7139277 0.76 NLRP3 (0.48) NLRP3
SCHEMBL19505698 0.76 NLRP3 (0.48) NLRP3
SCHEMBL7622551 0.73 NLRP3 (0.60) NLRP3

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