SCHEMBL30108702

SCHEMBL30108702

N#Cc1ccc(-c2nnc(N[C@@H]3CCCN(C4CCOCC4)C3)c3ccccc23)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 8/20 0.47
IRAK4 Q9NWZ3 11/20 0.43
IL1B P01584 1/20 0.38

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
SCHEMBL28934346 1.00 NLRP3 (0.47) NLRP3IRAK4IL1B
SCHEMBL28934352 1.00 NLRP3 (0.47) NLRP3IRAK4IL1B
SCHEMBL28934737 0.94 NLRP3 (0.50) NLRP3IRAK4IL1B
SCHEMBL28934734 0.94 NLRP3 (0.50) NLRP3IRAK4IL1B
SCHEMBL30108801 0.92 NLRP3 (0.47) NLRP3IRAK4IL1B
SCHEMBL28934499 0.92 NLRP3 (0.47) NLRP3IRAK4IL1B
SCHEMBL28934503 0.92 NLRP3 (0.47) NLRP3IRAK4IL1B
SCHEMBL25864149 0.92 NLRP3 (0.45) NLRP3IRAK4IL1B
SCHEMBL25855241 0.85 NLRP3 (0.48) NLRP3IRAK4IL1B
SCHEMBL28934477 0.84 NLRP3 (0.62) NLRP3IL1B

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-20240294542-A1 NLRP3 INFLAMMASOME INHIBITOR AND APPLICATION THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2024-09-05 US disclosed
CN-115433163-A NLRP3 inflammasome inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2022-12-06 CN 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-20240294542-A1 NLRP3 INFLAMMASOME INHIBITOR AND APPLICATION THEREOF NLRP3, NLRP1, PYCARD NLRP3 1/4885IRAK4 14/4885IL1B 7/4885

“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.