SCHEMBL30830302

SCHEMBL30830302

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

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.33
▸ LIPG Q9Y5X9 1/20 0.32
▸ PSMB8 P28062 1/20 0.31
▸ EPHX2 P34913 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
SCHEMBL26962347 0.91 GAA (0.37) GAAHDAC6LIPGPSMB8EPHX2
SCHEMBL29797169 0.91 GAA (0.37) GAAHDAC6LIPGPSMB8EPHX2
SCHEMBL31375586 0.88 GAA (0.35) GAAHDAC6LIPGPSMB8EPHX2
SCHEMBL31628179 0.88 HDAC6 (0.37) GAAHDAC6LIPGPSMB8EPHX2
SCHEMBL30830363 0.86 GAA (0.34) GAA
SCHEMBL31628209 0.86 GAA (0.37) GAALIPGPSMB8EPHX2
SCHEMBL31375540 0.86 GAA (0.37) GAAHDAC6LIPGPSMB8EPHX2
SCHEMBL31375549 0.86 GAA (0.37) GAALIPGPSMB8EPHX2
SCHEMBL31628170 0.86 GAA (0.37) GAAHDAC6LIPGPSMB8EPHX2
SCHEMBL31628366 0.86 HDAC6 (0.35) GAAHDAC6PSMB8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260035364-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2026-02-05 — — US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20260035364-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES SCN1B, SCN2B, SCN11A GAA 4284/4885HDAC6 460/4885LIPG 3869/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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