SCHEMBL30830298

SCHEMBL30830298

CC(C)(C)OC(=O)N[C@H]1CSc2cc(F)c(/C(N)=N/OC(=O)C(C)(C)S(C)(=O)=O)cc2NC1=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.33
▸ EPHX2 P34913 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
SCHEMBL31375560 0.91 GAA (0.35) GAAEPHX2
SCHEMBL32670510 0.89 GAA (0.33) GAA
SCHEMBL26962790 0.87 GAA (0.33) GAA
SCHEMBL29796806 0.87 GAA (0.33) GAA
SCHEMBL26962176 0.85 GAA (0.38) GAAEPHX2
SCHEMBL31375609 0.85 GAA (0.32) GAA
SCHEMBL30830313 0.83 GAA (0.34) GAA
SCHEMBL32670301 0.83 GAA (0.32) GAA
SCHEMBL20263999 0.83 GAA (0.40) GAAEPHX2
SCHEMBL27121024 0.83 GAA (0.40) GAAEPHX2

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-4568958-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-06-18 — — EP disclosed
WO-2024033388-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2024-02-15 — — WO disclosed
Send feedback