SCHEMBL22014444

SCHEMBL22014444

CC(C)c1cc(C#N)cc(C(C)C)c1CC(=O)N=[SH](=O)c1ccc(CN(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.35
GSR P00390 1/20 0.33
ROCK2 O75116 1/20 0.33
NSD2 O96028 1/20 0.32
LSS P48449 1/20 0.31

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
SCHEMBL20698684 0.93 NLRP3 (0.33) NLRP3GSRROCK2LSS
SCHEMBL25067179 0.90 FASN (0.30) NLRP3
SCHEMBL23692211 0.79 ROCK2 (0.35) NLRP3ROCK2LSS
SCHEMBL20698687 0.78 NLRP3 (0.42) NLRP3GSRROCK2NSD2LSS
SCHEMBL22014583 0.78 NLRP3 (0.42) NLRP3GSRROCK2NSD2LSS
SCHEMBL20698686 0.78 NLRP3 (0.42) NLRP3GSRROCK2NSD2LSS
SCHEMBL22014363 0.78 FASN (0.32)
SCHEMBL22014362 0.77 KDM1A (0.32)
SCHEMBL22014746 0.77 NLRP3 (0.37) NLRP3GSR
SCHEMBL23692130 0.76 ROCK2 (0.33) NLRP3ROCK2

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 3 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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 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 (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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NLRP3 2/4885GSR 2096/4885ROCK2 3458/4885

“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.