SCHEMBL30833941

SCHEMBL30833941

CCOCOc1cc(C=O)ccc1-c1nnc(NC2CC(C)(O)C2)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IL1B P01584 10/20 0.55
TNF P01375 1/20 0.45
NLRP3 Q96P20 3/20 0.38
ALDH1A1 P00352 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
SCHEMBL30488542 0.88 IL1B (0.52) IL1BTNFNLRP3ALDH1A1
SCHEMBL25256063 0.88 IL1B (0.52) IL1BTNFNLRP3ALDH1A1
SCHEMBL30833880 0.88 IL1B (0.40) IL1BTNFNLRP3ALDH1A1
SCHEMBL31681907 0.86 IL1B (0.56) IL1BTNFNLRP3
SCHEMBL30834030 0.83 IL1B (0.48) IL1BTNFNLRP3
SCHEMBL31681915 0.81 IL1B (0.48) IL1BTNFNLRP3
SCHEMBL30488552 0.81 IL1B (0.35) IL1BTNFNLRP3ALDH1A1
SCHEMBL25302371 0.81 IL1B (0.35) IL1BTNFNLRP3ALDH1A1
SCHEMBL30834037 0.80 NLRP3 (0.38) IL1BTNFNLRP3ALDH1A1
SCHEMBL25258660 0.80 NLRP3 (0.37) IL1BTNFNLRP3ALDH1A1

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