SCHEMBL22014337

SCHEMBL22014337

CC(C)c1cc(C#N)cc(C2CC2)c1CC(=O)N=S(N)(=O)c1ccc(CN(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.36
LSS P48449 1/20 0.34
SMYD3 Q9H7B4 1/20 0.33
STAT3 P40763 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.32
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
MAPK8 P45983 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 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
SCHEMBL25066905 1.00 NLRP3 (0.36) NLRP3LSSSMYD3STAT3TAS2R14
SCHEMBL25067028 1.00 NLRP3 (0.36) NLRP3LSSSMYD3STAT3TAS2R14
SCHEMBL22015611 0.91 NLRP3 (0.36) NLRP3LSSSMYD3STAT3TAS2R14
SCHEMBL20698687 0.90 NLRP3 (0.42) NLRP3LSSSTAT3TAS2R14PSEN1
SCHEMBL22014583 0.90 NLRP3 (0.42) NLRP3LSSSTAT3TAS2R14PSEN1
SCHEMBL20698686 0.90 NLRP3 (0.42) NLRP3LSSSTAT3TAS2R14PSEN1
SCHEMBL25067105 0.90 NLRP3 (0.35) NLRP3LSS
SCHEMBL20698685 0.89 NLRP3 (0.31) NLRP3
SCHEMBL22014366 0.89 NLRP3 (0.33) NLRP3
SCHEMBL20698803 0.89 NLRP3 (0.33) NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3658538-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-04-19 EP disclosed
US-20230079631-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-03-16 US disclosed
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
US-11370763-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2022-06-28 US disclosed
US-20210230129-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2021-07-29 US disclosed
WO-2020102574-A1 THE 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 (4 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-20230079631-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NLRP3 2/4885LSS 1248/4885SMYD3 4658/4885
US-20210230129-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP3, NLRP1, IAPP NLRP3 1/4885LSS 1119/4885SMYD3 4853/4885
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NLRP3 2/4885LSS 1743/4885SMYD3 4709/4885
US-11370763-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP3, NLRP1, IAPP NLRP3 1/4885LSS 1119/4885SMYD3 4853/4885

“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.