SCHEMBL31628193

SCHEMBL31628193

CC(C)(C)OC(=O)N[C@H]1CSc2ccc(-c3nnc(C4(NC(=O)OC(C)(C)C)CCCCC4)o3)cc2NC1=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.34
▸ PSMB8 P28062 1/20 0.33
▸ DPP4 P27487 2/20 0.31
▸ AKT1 P31749 1/20 0.31
▸ BRD4 O60885 2/20 0.30
▸ KIT P10721 1/20 0.30
▸ LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL31375572 1.00 GAA (0.34) GAAPSMB8DPP4AKT1BRD4
SCHEMBL29797169 0.87 GAA (0.37) GAAPSMB8BRD4LIPG
SCHEMBL26962347 0.87 GAA (0.37) GAAPSMB8BRD4LIPG
SCHEMBL31628259 0.87 GAA (0.33) GAAPSMB8BRD4
SCHEMBL31375516 0.87 GAA (0.33) GAAPSMB8BRD4
SCHEMBL31375540 0.85 GAA (0.37) GAAPSMB8BRD4LIPG
SCHEMBL31628170 0.85 GAA (0.37) GAAPSMB8BRD4LIPG
SCHEMBL31628209 0.85 GAA (0.37) GAAPSMB8BRD4LIPG
SCHEMBL31375549 0.85 GAA (0.37) GAAPSMB8BRD4LIPG
SCHEMBL31628179 0.84 HDAC6 (0.37) GAAPSMB8BRD4LIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4568959-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-06-18 — — EP disclosed
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