SCHEMBL22014416

SCHEMBL22014416

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.42
GSR P00390 1/20 0.33
SOAT2 O75908 1/20 0.32
MYC P01106 1/20 0.32
SOAT1 P35610 1/20 0.32
MAP2K3 P46734 1/20 0.32
BMP1 P13497 2/20 0.32
CA2 P00918 2/20 0.31
HSP90AA1 P07900 2/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA7 P43166 1/20 0.30
POLB P06746 1/20 0.30
RORC P51449 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 0.89 NLRP3 (0.44) NLRP3GSRBMP1CA2HSP90AA1
SCHEMBL20698839 0.88 NLRP3 (0.41) NLRP3BMP1
SCHEMBL20698755 0.86 NLRP3 (0.35) NLRP3GSRSOAT2MYCSOAT1
SCHEMBL22014583 0.86 NLRP3 (0.42) NLRP3GSRCA2HSP90AA1CA12
SCHEMBL22014344 0.86 CA2 (0.35) NLRP3SOAT2MYCSOAT1MAP2K3
SCHEMBL20698687 0.86 NLRP3 (0.42) NLRP3GSRCA2HSP90AA1CA12
SCHEMBL20698686 0.86 NLRP3 (0.42) NLRP3GSRCA2HSP90AA1CA12
SCHEMBL22014844 0.85 NLRP3 (0.35) NLRP3SOAT2MYCSOAT1MAP2K3
SCHEMBL20698692 0.85 NLRP3 (0.42) NLRP3GSRCA2HSP90AA1CA12
SCHEMBL20698694 0.85 NLRP3 (0.50) NLRP3CA2HSP90AA1CA1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2096/4885SOAT2 2693/4885

“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.