SCHEMBL20263999

SCHEMBL20263999

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.40
▸ EPHX2 P34913 1/20 0.35
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CRBN Q96SW2 3/20 0.32
▸ SCN9A Q15858 1/20 0.31
▸ CTSD P07339 3/20 0.31
▸ BACE1 P56817 2/20 0.31
▸ BRD4 O60885 1/20 0.30
▸ CREBBP Q92793 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
SCHEMBL27121024 1.00 GAA (0.40) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL29797040 0.95 GAA (0.37) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL20280033 0.91 GAA (0.40) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL29796978 0.91 GAA (0.40) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL26962099 0.90 GAA (0.44) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL26961679 0.89 GAA (0.38) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL29797018 0.89 GAA (0.38) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL31374892 0.89 GAA (0.38) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL26961952 0.88 GAA (0.41) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL26962176 0.88 GAA (0.38) GAAEPHX2NFKB1NFKB2RELA

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 13 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-4568959-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-06-18 — — EP disclosed
EP-4568958-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-06-18 — — EP disclosed
CN-119698413-A Bicyclic tetrahydrothiazepine derivatives 豪夫迈·罗氏有限公司 2025-03-25 — — CN disclosed
CN-119677733-A Bicyclic tetrahydrothiazepine derivatives 豪夫迈·罗氏有限公司 2025-03-21 — — CN 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
US-10472341-B2 Bicyclic tetrahydrothiazepine derivatives useful for the treatment of neoplastic and/or infectious diseases APEIRON BIOLOGICS AG (AT) 2019-11-12 — — US disclosed
EP-3265463-B1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEOPLASTIC AND/OR INFECTIOUS DISEASES APEIRON BIOLOGICS AG (AT) 2018-12-19 — — EP disclosed
US-20180170888-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEOPLASTIC AND/OR INFECTIOUS DISEASES APEIRON BIOLOGICS GMBH (AT) 2018-06-21 — — US 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 (4 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-10472341-B2 Bicyclic tetrahydrothiazepine derivatives useful for the treatment of neoplastic and/or infectious diseases CCNT2, HRH4, HRH3 GAA 3737/4885EPHX2 1697/4885NFKB1 2445/4885
US-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER BICRA, BRD4, CNR1 GAA 4525/4885EPHX2 2272/4885NFKB1 3294/4885
US-20260035364-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES SCN1B, SCN2B, SCN11A GAA 4284/4885EPHX2 1104/4885NFKB1 4702/4885
US-20180170888-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEOPLASTIC AND/OR INFECTIOUS DISEASES CCNT2, HRH4, HRH3 GAA 3737/4885EPHX2 1697/4885NFKB1 2445/4885

“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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