SCHEMBL29270699

SCHEMBL29270699

COC(=O)c1cc2c(cc1C)SC[C@H](NC(=O)OC(C)(C)C)C(=O)N2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.40
▸ NFKB1 P19838 2/20 0.37
▸ NFKB2 Q00653 2/20 0.37
▸ RELA Q04206 2/20 0.37
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ ALOX15 P16050 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL30675678 1.00 GAA (0.40) GAANFKB1NFKB2RELALMNA
SCHEMBL26961952 0.91 GAA (0.41) GAANFKB1NFKB2RELAEPHX2
SCHEMBL20280033 0.89 GAA (0.40) GAANFKB1NFKB2RELALMNA
SCHEMBL29796978 0.89 GAA (0.40) GAANFKB1NFKB2RELALMNA
SCHEMBL29796833 0.89 GAA (0.40) GAANFKB1NFKB2RELALMNA
SCHEMBL20280041 0.89 GAA (0.40) GAANFKB1NFKB2RELALMNA
SCHEMBL31375565 0.85 LMNA (0.54) GAANFKB1NFKB2RELALMNA
SCHEMBL20279961 0.85 LMNA (0.54) GAANFKB1NFKB2RELALMNA
SCHEMBL29797040 0.85 GAA (0.37) GAANFKB1NFKB2RELALMNA
SCHEMBL29270790 0.82 GAA (0.38) GAANFKB1NFKB2RELAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2024-11-07 — — US 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 (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-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER BICRA, BRD4, CNR1 GAA 4525/4885NFKB1 3294/4885NFKB2 3761/4885

“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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