SCHEMBL20698686

SCHEMBL20698686

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.42
LSS P48449 1/20 0.39
MAPK8 P45983 2/20 0.34
TAS2R14 Q9NYV8 1/20 0.33
TSHR P16473 1/20 0.33
GSR P00390 1/20 0.33
ROCK2 O75116 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
STAT3 P40763 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL22014583 1.00 NLRP3 (0.42) NLRP3LSSMAPK8TAS2R14TSHR
SCHEMBL20698687 1.00 NLRP3 (0.42) NLRP3LSSMAPK8TAS2R14TSHR
SCHEMBL22014445 0.94 NLRP3 (0.39) NLRP3LSSMAPK8TAS2R14TSHR
SCHEMBL20698683 0.94 NLRP3 (0.39) NLRP3LSSMAPK8TAS2R14TSHR
SCHEMBL25067186 0.91 NLRP3 (0.39) NLRP3LSSMAPK8OPRK1
SCHEMBL25067028 0.90 NLRP3 (0.36) NLRP3LSSMAPK8TAS2R14PSEN1
SCHEMBL25066905 0.90 NLRP3 (0.36) NLRP3LSSMAPK8TAS2R14PSEN1
SCHEMBL22014337 0.90 NLRP3 (0.36) NLRP3LSSMAPK8TAS2R14PSEN1
SCHEMBL25067105 0.89 NLRP3 (0.35) NLRP3LSS
SCHEMBL25067006 0.89 NLRP3 (0.44) NLRP3GSRCA12CA1CA2

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 7 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
WO-2019023145-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM Tre, Inc. (US) 2019-01-31 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 1248/4885MAPK8 1138/4885
US-20210230129-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP3, NLRP1, IAPP NLRP3 1/4885LSS 1119/4885MAPK8 1102/4885
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NLRP3 2/4885LSS 1743/4885MAPK8 1081/4885
US-11370763-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP3, NLRP1, IAPP NLRP3 1/4885LSS 1119/4885MAPK8 1102/4885

“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.