SCHEMBL21963294

SCHEMBL21963294

COC(=O)c1nn(C(C)C)cc1S(N)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.42
CA2 P00918 12/20 0.42
CA9 Q16790 12/20 0.42
CA5A P35218 1/20 0.42
CA12 O43570 11/20 0.39
CA14 Q9ULX7 3/20 0.38
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 2/20 0.35
F10 P00742 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL20239863 0.80 CA1 (0.45) CA1CA2CA9CA5ACA12
SCHEMBL20023745 0.78 ADORA2A (0.43) ADORA2AADORA1ADORA3NPSR1ALDH1A1
SCHEMBL26924174 0.78 NPSR1 (0.39) CA1CA2CA9CA12ADORA2A
SCHEMBL1430719 0.75 KMT2A (0.42) ADORA2AADORA1ADORA3NPSR1ALDH1A1
SCHEMBL21963083 0.74 ADORA2A (0.33) CA1CA2CA9CA5ACA12
SCHEMBL18138238 0.73 NPSR1 (0.37) ADORA2AADORA1ADORA3NPSR1ALDH1A1
SCHEMBL23850646 0.73 ADORA2A (0.36) CA1CA2CA9CA12ADORA2A
SCHEMBL12725290 0.72 L3MBTL1 (0.42) ADORA2AADORA1ADORA3NPSR1ALDH1A1
SCHEMBL21963343 0.71 ADORA2A (0.35) CA1CA2CA9CA5ACA12
SCHEMBL25332610 0.70 ADORA2A (0.36) ADORA2AADORA1ADORA3NPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4667054-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2025-12-24 EP disclosed
EP-3880660-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2025-07-02 EP disclosed
CN-113166065-B Compounds and compositions for treating disorders associated with NLRP activity 诺华股份有限公司 2025-04-15 CN disclosed
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US disclosed
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US disclosed
EP-3880660-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
CN-113166065-A Compounds and compositions for treating conditions associated with NLRP activity 诺华股份有限公司 2021-07-23 CN disclosed
WO-2020102096-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
WO-2020102096-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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CA1 3665/4885CA2 1245/4885CA9 3039/4885

“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.