SCHEMBL22013698

SCHEMBL22013698

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 4/20 0.39
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 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
SCHEMBL25033725 1.00 NLRP3 (0.39) NLRP3POLBL3MBTL1HPGDSMN1; SMN2
SCHEMBL30770385 1.00 NLRP3 (0.39) NLRP3POLBL3MBTL1HPGDSMN1; SMN2
SCHEMBL25033802 1.00 NLRP3 (0.39) NLRP3POLBL3MBTL1HPGDSMN1; SMN2
SCHEMBL30244385 0.92 NLRP3 (0.39) NLRP3POLBL3MBTL1HPGDSMN1; SMN2
SCHEMBL30244229 0.92 NLRP3 (0.39) NLRP3POLBL3MBTL1HPGDSMN1; SMN2
SCHEMBL22012145 0.92 NLRP3 (0.39) NLRP3POLBL3MBTL1HPGDSMN1; SMN2
SCHEMBL30770395 0.92 NLRP3 (0.39) NLRP3POLBL3MBTL1HPGDSMN1; SMN2
SCHEMBL22002747 0.91 NLRP3 (0.38) NLRP3POLBL3MBTL1HPGDSMN1; SMN2
SCHEMBL22002741 0.91 NLRP3 (0.38) NLRP3POLBL3MBTL1HPGDSMN1; SMN2
SCHEMBL22012176 0.90 NLRP3 (0.36) NLRP3POLBL3MBTL1HPGDSMN1; SMN2

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
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
WO-2020102576-A1 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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NLRP3 2/4885POLB 4639/4885L3MBTL1 4806/4885

“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.