SCHEMBL22265258

SCHEMBL22265258

CN(C)Cc1ccc(CS(N)(=O)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.54
CA1 P00915 3/20 0.54
CA9 Q16790 3/20 0.54
CA5A P35218 2/20 0.54
HRH3 Q9Y5N1 2/20 0.52
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
KIF11 P52732 1/20 0.46
TAAR1 Q96RJ0 2/20 0.45
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
TTK P33981 1/20 0.39
AURKB Q96GD4 1/20 0.39
INCENP Q9NQS7 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL28617362 0.81 CA2 (0.52) CA2CA1CA9CA5ATSHR
SCHEMBL16296148 0.79 CA2 (0.61) CA2CA1CA9CA5AHRH3
SCHEMBL21963144 0.77 HRH3 (0.45) CA2CA1CA9CA5AHRH3
SCHEMBL659509 0.76 HRH3 (0.82) HRH3TSHRALDH1A1TAAR1NOS3
SCHEMBL20698828 0.76 HRH3 (0.48) CA2CA1CA9CA5AHRH3
SCHEMBL4868635 0.76 CA2 (0.61) CA2CA1CA9CA5AALDH1A1
SCHEMBL3229364 0.76 CA1 (0.60) CA2CA1CA9CA5AALDH1A1
SCHEMBL4057569 0.74 CA1 (0.58) CA2CA1CA9CA5AALDH1A1
SCHEMBL4573294 0.73 CA2 (0.62) CA2CA1CA9CA5AHRH3
SCHEMBL2984207 0.73 CA1 (0.62) CA2CA1CA9CA5ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220227707-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2022-07-21 US disclosed
EP-3914583-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-12-01 EP disclosed
CN-113316566-A Compounds and compositions for treating conditions associated with NLRP activity 诺华股份有限公司 2021-08-27 CN disclosed
WO-2020154321-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-07-30 WO disclosed
WO-2020154321-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-07-30 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-20220227707-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CA2 1202/4885CA1 3790/4885CA9 3106/4885

“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.