SCHEMBL29270760

SCHEMBL29270760

COC(=O)c1ccc2c(c1)N(Cc1ccc(Oc3ccccc3)cc1)C(=O)[C@@H](NC(=O)OC(C)(C)C)CS2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.44
▸ XIAP P98170 1/20 0.43
▸ SRC P12931 3/20 0.42
▸ NPY1R P25929 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ F7 P08709 2/20 0.38
▸ F3 P13726 2/20 0.38
▸ F2 P00734 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL31374890 1.00 TP53 (0.44) TP53XIAPSRCNPY1RGSK3B
SCHEMBL26961658 0.94 XIAP (0.46) TP53XIAPSRCNPY1RNPC1
SCHEMBL29796998 0.94 XIAP (0.46) TP53XIAPSRCNPY1RNPC1
SCHEMBL20279843 0.92 TP53 (0.42) TP53XIAPSRCNPY1RNPC1
SCHEMBL29796993 0.91 NPC1 (0.43) TP53XIAPSRCNPY1RNPC1
SCHEMBL26961734 0.91 NPC1 (0.43) TP53XIAPSRCNPY1RNPC1
SCHEMBL31628063 0.90 XIAP (0.42) TP53XIAPSRCNPY1RNPC1
SCHEMBL20280050 0.90 KCNN4 (0.41) TP53XIAPSRCNPY1RGSK3B
SCHEMBL31375529 0.90 XIAP (0.42) TP53XIAPSRCNPY1RNPC1
SCHEMBL29796876 0.90 KCNN4 (0.41) TP53XIAPSRCNPY1RGSK3B

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 7 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
US-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2024-11-07 — — US 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
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
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 (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 TP53 1233/4885XIAP 3779/4885SRC 2202/4885
US-20260035364-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES SCN1B, SCN2B, SCN11A TP53 4871/4885XIAP 4823/4885SRC 1591/4885

“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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