SCHEMBL21962750

SCHEMBL21962750

NS(=O)(=O)c1ccc([C@H]2CCCN2C(=O)O)s1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.40
POLB P06746 2/20 0.38
MMP8 P22894 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
CA1 P00915 6/20 0.37
CA12 O43570 4/20 0.36
CA9 Q16790 4/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RIPK1 Q13546 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL21962204 1.00 CA2 (0.40) CA2POLBMMP8MMP12MMP13
SCHEMBL21962206 1.00 CA2 (0.40) CA2POLBMMP8MMP12MMP13
SCHEMBL22012909 0.83 MEN1 (0.41) MMP13TSHRL3MBTL1ALDH1A1NPC1
SCHEMBL21962786 0.83 MEN1 (0.41) MMP13TSHRL3MBTL1ALDH1A1NPC1
SCHEMBL22012903 0.83 MEN1 (0.41) MMP13TSHRL3MBTL1ALDH1A1NPC1
SCHEMBL15270350 0.77 POLB (0.41) POLBTSHRRIPK1ALDH1A1NPC1
SCHEMBL31028770 0.70 CA2 (0.53) CA2CA1CA12CA9
SCHEMBL16401485 0.69 CA2 (0.54) CA2CA1CA12CA9RIPK1
SCHEMBL10340974 0.67 CA2 (0.47) CA2CA1CA12CA9
SCHEMBL10340975 0.67 CA2 (0.47) CA2CA1CA12CA9

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
EP-3880659-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP 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 CA2 1210/4885POLB 4639/4885MMP8 89/4885

“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.