SCHEMBL26961700

SCHEMBL26961700

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.41
▸ AAK1 Q2M2I8 1/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ SCN9A Q15858 2/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ CTSD P07339 2/20 0.31
▸ BACE1 P56817 2/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ KDM4D Q6B0I6 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
SCHEMBL29796701 1.00 GAA (0.41) GAAAAK1EPHX2NFKB1NFKB2
SCHEMBL25761124 0.96 GAA (0.41) GAAAAK1EPHX2NFKB1NFKB2
SCHEMBL26962099 0.91 GAA (0.44) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL26962527 0.87 GAA (0.41) GAAAAK1EPHX2NFKB1NFKB2
SCHEMBL29796990 0.87 GAA (0.41) GAAAAK1EPHX2NFKB1NFKB2
SCHEMBL27121024 0.86 GAA (0.40) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL20263999 0.86 GAA (0.40) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL29796978 0.85 GAA (0.40) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL20280033 0.85 GAA (0.40) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL25766630 0.85 GAA (0.41) GAAAAK1EPHX2NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4568746-B1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2026-04-29 — — EP disclosed
US-20250236617-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2025-07-24 — — US disclosed
EP-4568746-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-06-18 — — EP disclosed
CN-119768401-A Bicyclic tetrahydrothiazepine derivatives 豪夫迈·罗氏有限公司 2025-04-04 — — CN disclosed
US-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2024-11-07 — — US disclosed
WO-2024033457-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
CN-116964048-A Bicyclic tetrahydroazepine derivatives for the treatment of cancer 豪夫迈·罗氏有限公司 2023-10-27 — — CN 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 (2 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-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER BICRA, BRD4, CNR1 GAA 4525/4885AAK1 3346/4885EPHX2 2272/4885
US-20250236617-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES GRIN2C, CYP3A4, BICRA GAA 4483/4885AAK1 3491/4885EPHX2 894/4885

“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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