SCHEMBL20280002

SCHEMBL20280002

COC(=O)c1cc([N+](=O)[O-])c(SC[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.49
GSTM2 P28161 2/20 0.49
PPARG P37231 9/20 0.46
PPARA Q07869 9/20 0.46
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
PPARD Q03181 2/20 0.39
BCL2 P10415 4/20 0.38
MCL1 Q07820 1/20 0.38
ACE P12821 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL27129942 1.00 GSTP1 (0.49) GSTP1GSTM2PPARGPPARAKDM4E
SCHEMBL29796768 0.95 GSTP1 (0.46) GSTP1GSTM2PPARGPPARAKDM4E
SCHEMBL26961654 0.90 GSTP1 (0.50) GSTP1GSTM2PPARGPPARAKDM4E
SCHEMBL27131730 0.89 GSTP1 (0.49) GSTP1GSTM2PPARGPPARAKDM4E
SCHEMBL20280135 0.89 GSTP1 (0.49) GSTP1GSTM2PPARGPPARAALDH1A1
SCHEMBL26961765 0.89 GSTP1 (0.49) GSTP1GSTM2PPARGPPARAKDM4E
SCHEMBL29797181 0.89 GSTP1 (0.49) GSTP1GSTM2PPARGPPARAKDM4E
SCHEMBL28628373 0.89 GSTP1 (0.49) GSTP1GSTM2PPARGPPARAALDH1A1
SCHEMBL20280078 0.84 PPARA (0.45) GSTP1GSTM2PPARGPPARAKDM4E
SCHEMBL27130964 0.84 PPARA (0.45) GSTP1GSTM2PPARGPPARAKDM4E

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-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
CN-107889487-B Bicyclic tetrahydrothiazepine derivatives for the treatment of tumor and/or infectious diseases 阿派隆生物制剂股份公司 2021-09-03 CN 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
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
EP-3265463-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEOPLASTIC AND/OR INFECTIOUS DISEASES Apeiron Biologics AG (AT) 2018-01-10 EP 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 (3 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 GSTP1 4283/4885GSTM2 4138/4885PPARG 2349/4885
US-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER BICRA, BRD4, CNR1 GSTP1 4748/4885GSTM2 4763/4885PPARG 2445/4885
US-20180170888-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEOPLASTIC AND/OR INFECTIOUS DISEASES CCNT2, HRH4, HRH3 GSTP1 4283/4885GSTM2 4138/4885PPARG 2349/4885

“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.