SCHEMBL30833872

SCHEMBL30833872

CCOCOc1cc(C#CBr)ccc1-c1nnc(NC2CC(C)(O)C2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IL1B P01584 9/20 0.53
TNF P01375 1/20 0.49
NLRP3 Q96P20 8/20 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
SCHEMBL25301017 0.90 IL1B (0.52) IL1BTNFNLRP3
SCHEMBL25861524 0.90 IL1B (0.52) IL1BTNFNLRP3
SCHEMBL31681919 0.89 IL1B (0.53) IL1BTNFNLRP3
SCHEMBL25256063 0.83 IL1B (0.52) IL1BTNFNLRP3
SCHEMBL30488542 0.83 IL1B (0.52) IL1BTNFNLRP3
SCHEMBL30833885 0.83 IL1B (0.72) IL1BTNFNLRP3
SCHEMBL29030540 0.83 NLRP3 (0.40) IL1BTNFNLRP3
SCHEMBL31681925 0.79 IL1B (0.40) IL1BTNFNLRP3
SCHEMBL31681907 0.78 IL1B (0.56) IL1BTNFNLRP3
SCHEMBL30834017 0.77 NLRP3 (0.36) IL1BTNFNLRP3

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
EP-4613749-A1 NLRP3 INFLAMMASOME INHIBITOR AND USE THEREOF TransThera Sciences (Nanjing), Inc. (CN) 2025-09-10 EP disclosed
CN-117986258-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2024-05-07 CN disclosed