Sugi Predict

Sugi Predict / Compounds / SCHEMBL22014735

SCHEMBL22014735

SCHEMBL22014735

COc1cc(-c2cccc(C(C)C)c2CC(=O)N=S(=O)(N[Si](C)(C)C(C)(C)C)c2cnc([C@@](C)(O)CO[Si](C)(C)C(C)(C)C)s2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 6/20 0.39
▸ AAK1 Q2M2I8 2/20 0.32

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
SCHEMBL21962195 0.83 NLRP3 (0.42) NLRP3AAK1
SCHEMBL25067154 0.82 NLRP3 (0.40) NLRP3AAK1
SCHEMBL21962245 0.80 NLRP3 (0.40) NLRP3AAK1
SCHEMBL22014895 0.75 NLRP3 (0.44) NLRP3
SCHEMBL25067148 0.74 NLRP3 (0.42) NLRP3
SCHEMBL25067152 0.73 NLRP3 (0.40) NLRP3
SCHEMBL21962081 0.68 NLRP3 (0.46) NLRP3
SCHEMBL21962143 0.67 NLRP3 (0.45) NLRP3
SCHEMBL21962099 0.67 NLRP3 (0.44) NLRP3
SCHEMBL28634299 0.67 NLRP3 (0.44) NLRP3AAK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 — — WO disclosed