SCHEMBL22012433

SCHEMBL22012433

CC(C)(C)OC(=O)N1CCc2sc(S(N)(=O)=N[Si](C)(C)C(C)(C)C)c(F)c2C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.44
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
P2RX3 P56373 1/20 0.36
MKNK1 Q9BUB5 8/20 0.35
NR1H2 P55055 1/20 0.35
TGM2 P21980 1/20 0.35
FABP4 P15090 1/20 0.34
FABP5 Q01469 1/20 0.34
ESR2 Q92731 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33

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
SCHEMBL25034053 0.85 ADORA1 (0.50) ADORA1KDM4EMAPTP2RX3MKNK1
SCHEMBL21962780 0.81 KDM4E (0.32) ADORA1KDM4EMAPT
SCHEMBL25034054 0.80 ADORA1 (0.41) ADORA1KDM4EMAPTP2RX3MKNK1
SCHEMBL22012113 0.79 NR1H2 (0.45) ADORA1KDM4EMAPTP2RX3MKNK1
SCHEMBL25034052 0.78 ADORA1 (0.40) ADORA1KDM4EMAPTP2RX3MKNK1
SCHEMBL21962339 0.77 ADORA1 (0.44) ADORA1KDM4EMAPTMKNK1NR1H2
SCHEMBL21962384 0.73
SCHEMBL6425010 0.72 ADORA1 (0.55) ADORA1KDM4EMAPTP2RX3MKNK1
SCHEMBL6424372 0.71 ADORA1 (0.53) ADORA1KDM4EMAPTP2RX3MKNK1
SCHEMBL17377126 0.69 ADORA1 (0.51) ADORA1KDM4EMAPTP2RX3MKNK1

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
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
WO-2020102576-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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 ADORA1 510/4885KDM4E 4486/4885MAPT 2094/4885

“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.