SCHEMBL20698692

SCHEMBL20698692

C=Cc1cc(C(C)C)c(CC(=O)N=S(N)(=O)c2ccc(CN(C)C)cc2)c(C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.42
HDAC6 Q9UBN7 3/20 0.32
HDAC1 Q13547 2/20 0.32
GSR P00390 1/20 0.32
HDAC3 O15379 2/20 0.32
HDAC8 Q9BY41 1/20 0.32
HSP90AA1 P07900 1/20 0.30
CA2 P00918 2/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA4 P22748 1/20 0.30
CA9 Q16790 1/20 0.30
MMP9 P14780 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
SCHEMBL25067006 0.88 NLRP3 (0.44) NLRP3GSRHSP90AA1CA2CA12
SCHEMBL22014375 0.87 NLRP3 (0.40) NLRP3GSRHSP90AA1
SCHEMBL20698686 0.85 NLRP3 (0.42) NLRP3GSRHSP90AA1CA2CA12
SCHEMBL22014583 0.85 NLRP3 (0.42) NLRP3GSRHSP90AA1CA2CA12
SCHEMBL22014416 0.85 NLRP3 (0.42) NLRP3GSRHSP90AA1CA2CA12
SCHEMBL20698687 0.85 NLRP3 (0.42) NLRP3GSRHSP90AA1CA2CA12
SCHEMBL20698694 0.84 NLRP3 (0.50) NLRP3HDAC1HDAC3HSP90AA1CA2
SCHEMBL20698839 0.83 NLRP3 (0.41) NLRP3MMP9
SCHEMBL20699066 0.83 NLRP3 (0.45) NLRP3CA2CA12CA1CA4
SCHEMBL20692379 0.83 NLRP3 (0.36) NLRP3HDAC6HDAC1GSRHDAC3

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
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 2/4885HDAC6 569/4885HDAC1 575/4885
US-20210230129-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP3, NLRP1, IAPP NLRP3 1/4885HDAC6 1324/4885HDAC1 932/4885
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NLRP3 2/4885HDAC6 509/4885HDAC1 533/4885
US-11370763-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP3, NLRP1, IAPP NLRP3 1/4885HDAC6 1324/4885HDAC1 932/4885

“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.