SCHEMBL25419802

SCHEMBL25419802

CC1(C)OB(c2ccc3c(c2O)CCO3)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
P2RX7 Q99572 1/20 0.33
SLC9A1 P19634 1/20 0.32
SLC9A5 Q14940 1/20 0.32
SLC9A2 Q9UBY0 1/20 0.32

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
SCHEMBL30414499 1.00 MAPK1 (0.34) MAPK1P2RX7SLC9A1SLC9A5SLC9A2
SCHEMBL31394467 0.83 MAPK1 (0.35) MAPK1P2RX7SLC9A1
SCHEMBL12533487 0.83 MAPK1 (0.35) MAPK1P2RX7SLC9A1
SCHEMBL31394265 0.82 LPL (0.35) MAPK1P2RX7
SCHEMBL16140289 0.82 MAPK1 (0.34) MAPK1P2RX7SLC9A1
SCHEMBL15132885 0.82 MAPK1 (0.34) MAPK1P2RX7
SCHEMBL30634635 0.78 SLC9A1 (0.38) MAPK1P2RX7SLC9A1SLC9A5SLC9A2
SCHEMBL30938593 0.76 P2RX7 (0.35) MAPK1P2RX7
SCHEMBL27405718 0.76 P2RX7 (0.35) MAPK1P2RX7
SCHEMBL30973552 0.75 MAPK1 (0.30) MAPK1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4630417-A1 NOVEL COMPOUNDS AS MODULATORS OF NLRP3 INHIBITION F. Hoffmann-La Roche AG (CH) 2025-10-15 EP disclosed
EP-4630420-A1 INHIBITORS OF NLRP3 F. Hoffmann-La Roche AG (CH) 2025-10-15 EP disclosed
EP-4615841-A1 TRIAZINONE DERIVATIVES AS NLRP3 INHIBITORS F. Hoffmann-La Roche AG (CH) 2025-09-17 EP disclosed
WO-2025045961-A1 INHIBITORS OF THE NLRP3 INFLAMMASOME F. HOFFMANN-LA ROCHE AG (CH) 2025-03-06 WO disclosed
EP-4419532-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS F. Hoffmann-La Roche AG (CH) 2024-08-28 EP disclosed
CN-118234730-A Heterocyclic NLRP3 inhibitors 豪夫迈·罗氏有限公司 2024-06-21 CN disclosed
WO-2024121086-A1 NOVEL COMPOUNDS AS MODULATORS OF NLRP3 INHIBITION F. HOFFMANN-LA ROCHE AG (CH) 2024-06-13 WO disclosed
WO-2024121184-A1 INHIBITORS OF NLRP3 F. HOFFMANN-LA ROCHE AG (CH) 2024-06-13 WO disclosed
CN-118119626-A Fused bicyclic heteroaryl compounds useful as NLRP3 inhibitors 豪夫迈·罗氏有限公司 2024-05-31 CN disclosed
WO-2024099992-A1 TRIAZINONE DERIVATIVES AS NLRP3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2024-05-16 WO disclosed
WO-2024099992-A1 TRIAZINONE DERIVATIVES AS NLRP3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2024-05-16 WO disclosed
WO-2024017924-A1 NLRP3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2024-01-25 WO disclosed
WO-2023088856-A1 HETEROCYCLIC NLRP3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-05-25 WO disclosed
WO-2023066825-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-27 WO disclosed