SCHEMBL21892935

SCHEMBL21892935

CC(C)c1cc(F)cc(C(C)C)c1NC(=O)N=[S@](N)(=O)c1cccc(C(C)(C)O)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 5/20 0.53
CYP3A4 P08684 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP2C9 P11712 2/20 0.35
CYP2D6 P10635 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
HSD11B1 P28845 1/20 0.33
GSTO1 P78417 1/20 0.32
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 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
SCHEMBL22012831 1.00 NLRP3 (0.53) NLRP3CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL20692444 1.00 NLRP3 (0.53) NLRP3CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL23481750 0.89 NLRP3 (0.41) NLRP3CA12CA1CA2CA9
SCHEMBL20692039 0.89 NLRP3 (0.41) NLRP3CA12CA1CA2CA9
SCHEMBL20692394 0.89 NLRP3 (0.41) NLRP3CA12CA1CA2CA9
SCHEMBL20692133 0.85 NLRP3 (0.38) NLRP3CA12CA1CA2CA9
SCHEMBL20692448 0.83 NLRP3 (0.40) NLRP3CA12CA1CA2CA9
SCHEMBL21810750 0.81 NLRP3 (0.50) NLRP3CYP3A4CYP2D6CA12CA1
SCHEMBL30244304 0.81 NLRP3 (0.50) NLRP3CYP3A4CYP2D6CA12CA1
SCHEMBL25033425 0.81 NLRP3 (0.38) NLRP3CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12084424-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2024-09-10 US disclosed
US-20230416211-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-12-28 US disclosed
US-11724992-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2023-08-15 US disclosed
US-11724992-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2023-08-15 US disclosed
US-11724992-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2023-08-15 US disclosed
US-20230062815-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-03-02 US disclosed
US-20230062815-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-03-02 US disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
US-11203579-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2021-12-21 US disclosed
US-20210171477-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2021-06-10 US disclosed
US-10654816-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-19 US disclosed
US-20200087270-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2020-03-19 US 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 (9 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-20230062815-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NLRP3 2/4885CYP3A4 2433/4885CYP2C19 2870/4885
US-11203579-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP3, NLRP1, IAPP NLRP3 1/4885CYP3A4 3536/4885CYP2C19 4337/4885
US-20200087270-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NLRP3 2/4885CYP3A4 2433/4885CYP2C19 2870/4885
US-20210171477-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP3, NLRP1, IAPP NLRP3 1/4885CYP3A4 3536/4885CYP2C19 4337/4885
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NLRP3 2/4885CYP3A4 2340/4885CYP2C19 2682/4885
US-10654816-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 NLRP3 2/4885CYP3A4 2433/4885CYP2C19 2870/4885
US-12084424-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 NLRP3 2/4885CYP3A4 2433/4885CYP2C19 2870/4885
US-11724992-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 NLRP3 2/4885CYP3A4 2433/4885CYP2C19 2870/4885
US-20230416211-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NLRP3 2/4885CYP3A4 2433/4885CYP2C19 2870/4885

“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.