SCHEMBL30830368

SCHEMBL30830368

NNC(=O)c1cc2c(cc1F)SC[C@H](OC(N)=O)C(=O)N2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ POLB P06746 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ NPC1 O15118 2/20 0.30
▸ RAB9A P51151 2/20 0.30
▸ CRBN Q96SW2 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL30830338 0.85 — —
SCHEMBL31628285 0.85 — —
SCHEMBL31628151 0.81 — —
SCHEMBL27119544 0.79 CRBN (0.37) HDAC1HDAC8HDAC6POLBLMNA
SCHEMBL26961944 0.79 CRBN (0.37) HDAC1HDAC8HDAC6POLBLMNA
SCHEMBL31628212 0.76 NOX1 (0.35) GAAMAPTSMN1; SMN2
SCHEMBL29797018 0.75 GAA (0.38) HDAC1HDAC8HDAC6GAACRBN
SCHEMBL31374892 0.75 GAA (0.38) HDAC1HDAC8HDAC6GAACRBN
SCHEMBL26961679 0.75 GAA (0.38) HDAC1HDAC8HDAC6GAACRBN
SCHEMBL31628087 0.74 F11 (0.31) —

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
EP-4568958-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-06-18 — — EP disclosed
EP-4568959-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
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