SCHEMBL24978475

SCHEMBL24978475

CCc1nc2c(c(NC(=O)/N=[SH](=O)/c3cnc(C(C)(C)O)s3)c1C1CC1)CCC2

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.33
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
USP2 O75604 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL22019909 0.91 NLRP3 (0.35) NLRP3USP2
SCHEMBL22021253 0.89 NLRP3 (0.34) NLRP3USP2
SCHEMBL22020382 0.87 NLRP3 (0.46) NLRP3USP2
SCHEMBL24978023 0.84 NLRP3 (0.37) NLRP3USP2
SCHEMBL22020236 0.82 NLRP3 (0.45) NLRP3CYP1A2GAAUSP2KDM4E
SCHEMBL30162657 0.82 NLRP3 (0.45) NLRP3CYP1A2GAAUSP2KDM4E
SCHEMBL30162353 0.82 NLRP3 (0.45) NLRP3CYP1A2GAAUSP2KDM4E
SCHEMBL22021100 0.78 USP2 (0.34) NLRP3CYP1A2GAAUSP2
SCHEMBL22021555 0.77 CYP1A2 (0.31) NLRP3CYP1A2GAAUSP2KDM4E
SCHEMBL23481702 0.77

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
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NLRP3 2/4885CYP1A2 1790/4885GAA 1444/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.