SCHEMBL20279961

SCHEMBL20279961

COC(=O)c1ccc2c(c1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)CS2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ HTT P42858 3/20 0.49
▸ ALOX15 P16050 4/20 0.47
▸ HSD17B10 Q99714 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ POLB P06746 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL31375565 1.00 LMNA (0.54) LMNAALDH1A1HTTALOX15HSD17B10
SCHEMBL20264133 0.91 SMN1; SMN2 (0.48) LMNAALDH1A1HTTALOX15HSD17B10
SCHEMBL26962078 0.88 HPGD (0.41) LMNAALDH1A1HTTGAAHPGD
SCHEMBL29796987 0.88 HPGD (0.41) LMNAALDH1A1HTTGAAHPGD
SCHEMBL5969265 0.87 ALDH1A1 (0.40) LMNAALDH1A1HTTALOX15HSD17B10
SCHEMBL5729510 0.87 ALDH1A1 (0.40) LMNAALDH1A1HTTALOX15HSD17B10
SCHEMBL31375481 0.86 LMNA (0.38) LMNAALDH1A1HTTALOX15GAA
SCHEMBL31628137 0.86 LMNA (0.38) LMNAALDH1A1HTTALOX15GAA
SCHEMBL29270699 0.85 GAA (0.40) LMNAALDH1A1HTTALOX15HSD17B10
SCHEMBL30675678 0.85 GAA (0.40) LMNAALDH1A1HTTALOX15HSD17B10

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 10 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
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
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
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
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 LMNA 993/4885ALDH1A1 2070/4885HTT 2186/4885
US-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER BICRA, BRD4, CNR1 LMNA 1142/4885ALDH1A1 1572/4885HTT 2113/4885
US-20260035364-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES SCN1B, SCN2B, SCN11A LMNA 2547/4885ALDH1A1 760/4885HTT 1531/4885
US-20180170888-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEOPLASTIC AND/OR INFECTIOUS DISEASES CCNT2, HRH4, HRH3 LMNA 993/4885ALDH1A1 2070/4885HTT 2186/4885

“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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