SCHEMBL21893686

SCHEMBL21893686

CC(C)(O)c1ncc([S@@](N)(=O)=NC(=O)Nc2c3c(c(C#N)c4c2CCC4)CCC3)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 5/20 0.37
POLB P06746 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 4/20 0.31
ALDH1A1 P00352 4/20 0.31
LMNA P02545 3/20 0.31
KDM4E B2RXH2 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 3/20 0.31
GAA P10253 2/20 0.31
TP53 P04637 1/20 0.31
CASP3 P42574 1/20 0.31
ESR2 Q92731 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALOX15 P16050 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
SCHEMBL20692230 1.00 NLRP3 (0.37) NLRP3POLBL3MBTL1SMN1; SMN2HPGD
SCHEMBL21893011 1.00 NLRP3 (0.37) NLRP3POLBL3MBTL1SMN1; SMN2HPGD
SCHEMBL22002741 0.93 NLRP3 (0.38) NLRP3POLBL3MBTL1SMN1; SMN2HPGD
SCHEMBL22002747 0.93 NLRP3 (0.38) NLRP3POLBL3MBTL1SMN1; SMN2HPGD
SCHEMBL30244229 0.91 NLRP3 (0.39) NLRP3POLBL3MBTL1SMN1; SMN2HPGD
SCHEMBL30244385 0.91 NLRP3 (0.39) NLRP3POLBL3MBTL1SMN1; SMN2HPGD
SCHEMBL22012145 0.91 NLRP3 (0.39) NLRP3POLBL3MBTL1SMN1; SMN2HPGD
SCHEMBL30770395 0.91 NLRP3 (0.39) NLRP3POLBL3MBTL1SMN1; SMN2HPGD
SCHEMBL25033725 0.90 NLRP3 (0.39) NLRP3POLBL3MBTL1SMN1; SMN2HPGD
SCHEMBL22013698 0.90 NLRP3 (0.39) NLRP3POLBL3MBTL1SMN1; SMN2HPGD

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 10 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-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-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 (8 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 2/4885POLB 4644/4885L3MBTL1 4789/4885
US-11203579-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP3, NLRP1, IAPP NLRP3 1/4885POLB 3484/4885L3MBTL1 2700/4885
US-20200087270-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NLRP3 2/4885POLB 4644/4885L3MBTL1 4789/4885
US-20210171477-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP3, NLRP1, IAPP NLRP3 1/4885POLB 3484/4885L3MBTL1 2700/4885
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NLRP3 2/4885POLB 4639/4885L3MBTL1 4806/4885
US-12084424-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 NLRP3 2/4885POLB 4644/4885L3MBTL1 4789/4885
US-11724992-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 NLRP3 2/4885POLB 4644/4885L3MBTL1 4789/4885
US-20230416211-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NLRP3 2/4885POLB 4644/4885L3MBTL1 4789/4885

“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.