SCHEMBL30833922

SCHEMBL30833922

CCOCOc1cc(C=O)ccc1-c1nnc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IL1B P01584 7/20 0.44
NLRP3 Q96P20 5/20 0.44
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
USP30 Q70CQ3 2/20 0.37
AHCY P23526 1/20 0.35
PIM1 P11309 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
BRD4 O60885 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL30834020 1.00 IL1B (0.44) IL1BNLRP3HDAC4HDAC6TRPV1
SCHEMBL30893678 0.91 NLRP3 (0.45) IL1BNLRP3USP30AHCYPIM1
SCHEMBL30834021 0.91 NLRP3 (0.45) IL1BNLRP3USP30AHCYPIM1
SCHEMBL29030471 0.90 USP30 (0.37) NLRP3USP30AHCYPIM1PIM2
SCHEMBL29030472 0.90 USP30 (0.37) NLRP3USP30AHCYPIM1PIM2
SCHEMBL30488526 0.90 USP30 (0.37) NLRP3USP30AHCYPIM1PIM2
SCHEMBL30488591 0.90 USP30 (0.37) NLRP3USP30AHCYPIM1PIM2
SCHEMBL30833963 0.89 IL1B (0.44) IL1BNLRP3HDAC4HDAC6TRPV1
SCHEMBL30833954 0.89 IL1B (0.44) IL1BNLRP3HDAC4HDAC6TRPV1
SCHEMBL31681915 0.85 IL1B (0.48) IL1BNLRP3

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