SCHEMBL21963345

SCHEMBL21963345

COC(C)(C)c1ncc(S(=O)(=NC(=O)Nc2c3c(nc4c2CCC4)CCC3)NC(=O)O)s1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.38
NLRP3 Q96P20 6/20 0.36
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL24978799 0.91 USP2 (0.36) USP2NLRP3CYP1A2GAAMEN1
SCHEMBL21963469 0.86 NLRP3 (0.40) USP2NLRP3CYP1A2GAAMEN1
SCHEMBL21963337 0.81 NLRP3 (0.46) USP2NLRP3CYP1A2GAAMAPT
SCHEMBL21963329 0.81 NLRP3 (0.49) USP2NLRP3
SCHEMBL21810638 0.80 NLRP3 (0.50) NLRP3
SCHEMBL21810645 0.78 NLRP3 (0.48) NLRP3
SCHEMBL20692300 0.76 NLRP3 (0.48) NLRP3CYP1A2
SCHEMBL30770461 0.76 NLRP3 (0.48) NLRP3CYP1A2
SCHEMBL30244064 0.76 NLRP3 (0.48) NLRP3CYP1A2
SCHEMBL30244190 0.76 NLRP3 (0.48) NLRP3CYP1A2

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 3 patents. 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
EP-3880660-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
WO-2020102096-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO 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 USP2 4117/4885NLRP3 2/4885CYP1A2 1790/4885

“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.