SCHEMBL22012131

SCHEMBL22012131

CN(Cc1csc(S(N)(=O)=O)c1F)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNA1C Q13936 1/20 0.34
RIPK1 Q13546 4/20 0.34
SSTR4 P31391 1/20 0.34
CA2 P00918 5/20 0.33
CA1 P00915 3/20 0.33
CA9 Q16790 3/20 0.33
CA12 O43570 2/20 0.33
HTR2C P28335 4/20 0.33
SLC6A4 P31645 4/20 0.33
HTR2A P28223 1/20 0.32
GBA1 P04062 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MMP13 P45452 1/20 0.31
GLS O94925 1/20 0.31
CA4 P22748 1/20 0.30
CA7 P43166 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
SCHEMBL22012130 0.86 CACNA1G (0.32) CACNA1GCACNA1BCACNA1CRIPK1HTR2C
SCHEMBL22012126 0.85 HTR2C (0.32) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL22012128 0.82 HTR2C (0.33) CACNA1GCACNA1BCACNA1CSSTR4HTR2C
SCHEMBL21962497 0.81 CA2 (0.34) RIPK1CA2CA1CA9CA12
SCHEMBL22013593 0.75 CACNA1G (0.36) CACNA1GCACNA1BCACNA1CRIPK1SSTR4
SCHEMBL31034699 0.74 CA1 (0.40) CACNA1GCACNA1BCACNA1CRIPK1SSTR4
SCHEMBL22012876 0.73 CA2 (0.41) CACNA1GCACNA1BCACNA1CCA2HTR2C
SCHEMBL18325651 0.71 RIPK1 (0.48) CACNA1GCACNA1BCACNA1CRIPK1SSTR4
SCHEMBL25033758 0.70 CACNA1G (0.40) CACNA1GCACNA1BCACNA1CRIPK1SSTR4
SCHEMBL21962424 0.70 RIPK1 (0.33) RIPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3880659-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2024-01-03 EP disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
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.