SCHEMBL22013593

SCHEMBL22013593

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1C Q13936 1/20 0.36
RIPK1 Q13546 3/20 0.34
CA2 P00918 5/20 0.34
HTR2C P28335 6/20 0.34
SLC6A4 P31645 6/20 0.34
HTR2A P28223 1/20 0.34
GLS O94925 2/20 0.33
CA1 P00915 4/20 0.32
CA12 O43570 3/20 0.32
CA9 Q16790 3/20 0.32
SSTR4 P31391 1/20 0.32
CA14 Q9ULX7 1/20 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
SCHEMBL22012760 0.86 HTR2C (0.34) CACNA1GCACNA1BCACNA1CCA2HTR2C
SCHEMBL25033756 0.83 CACNA1G (0.35) CACNA1GCACNA1BCACNA1CRIPK1HTR2C
SCHEMBL22012914 0.82 ALDH1A1 (0.34) CA2HTR2CSLC6A4HTR2ACA1
SCHEMBL22013591 0.78 CACNA1G (0.36) CACNA1GCACNA1BCACNA1CRIPK1HTR2C
SCHEMBL20680938 0.76 CA2 (0.40) CA2SLC6A4CA1CA12
SCHEMBL4029596 0.75 HTR6 (0.37) RIPK1HTR2CSLC6A4HTR2AGLS
SCHEMBL22012131 0.75 CACNA1G (0.34) CACNA1GCACNA1BCACNA1CRIPK1CA2
SCHEMBL30244191 0.75 HTR2C (0.38) CACNA1GCACNA1BCACNA1CRIPK1CA2
SCHEMBL20692404 0.75 HTR2C (0.38) CACNA1GCACNA1BCACNA1CRIPK1CA2
SCHEMBL3654644 0.75 HTR2C (0.38) CA2HTR2CSLC6A4GLSCA1

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 CACNA1G 3288/4885CACNA1B 2816/4885CACNA1C 3051/4885

“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.