SCHEMBL29796711

SCHEMBL29796711

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.39
▸ TRPA1 O75762 1/20 0.38
▸ KDM4D Q6B0I6 2/20 0.37
▸ EGLN2 Q96KS0 1/20 0.35
▸ AAK1 Q2M2I8 1/20 0.35
▸ GPR119 Q8TDV5 2/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ EPAS1 Q99814 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ CTSK P43235 2/20 0.31
▸ PLA2G7 Q13093 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ DPP4 P27487 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
SCHEMBL26961638 1.00 GAA (0.39) GAATRPA1KDM4DEGLN2AAK1
SCHEMBL26962099 0.88 GAA (0.44) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL26961700 0.85 GAA (0.41) GAAKDM4DAAK1EPHX2NFKB1
SCHEMBL26962527 0.85 GAA (0.41) GAAAAK1EPHX2NFKB1NFKB2
SCHEMBL29796990 0.85 GAA (0.41) GAAAAK1EPHX2NFKB1NFKB2
SCHEMBL29796701 0.85 GAA (0.41) GAAKDM4DAAK1EPHX2NFKB1
SCHEMBL20263999 0.84 GAA (0.40) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL27121024 0.84 GAA (0.40) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL29796978 0.83 GAA (0.40) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL29796852 0.83 GAA (0.40) GAAKDM4DEGLN2EPHX2EPAS1

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 6 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
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
EP-4291558-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2023-12-20 — — EP disclosed
WO-2022171745-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2022-08-18 — — 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 4284/4885TRPA1 857/4885KDM4D 1264/4885

“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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