SCHEMBL22012760

SCHEMBL22012760

CN(Cc1cc(F)c(S(N)(=O)=N[Si](C)(C)C(C)(C)C)s1)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.34
SLC6A4 P31645 5/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNA1C Q13936 1/20 0.34
HTR2A P28223 1/20 0.34
GLS O94925 2/20 0.32
CA2 P00918 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
SCHEMBL22013593 0.86 CACNA1G (0.36) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL25033958 0.85 HTR2C (0.31) HTR2CSLC6A4HTR2A
SCHEMBL20692204 0.84
SCHEMBL22012126 0.81 HTR2C (0.32) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL20692086 0.80 HTR2C (0.35) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL25033756 0.79 CACNA1G (0.35) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL21963135 0.78 APLNR (0.30)
SCHEMBL22012873 0.76 HTR2C (0.33) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL21810636 0.75 HTR2C (0.35) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL20681350 0.73 PTGS2 (0.38) CA2

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 HTR2C 3684/4885SLC6A4 2720/4885CACNA1G 3288/4885

“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.