SCHEMBL2301394

SCHEMBL2301394

CCOC(=O)[C@H](CCC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CTSK P43235 7/20 0.48
CTSS P25774 6/20 0.48
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
FOLH1 Q04609 1/20 0.40

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
SCHEMBL3242610 1.00 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL863895 0.89 CTSK (0.48) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL3773280 0.89 CTSK (0.48) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL863894 0.89 CTSK (0.48) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL17277929 0.88 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL2721298 0.88 CYP1A2 (0.68) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL2463121 0.88 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL21873981 0.88 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL2721300 0.88 CYP1A2 (0.68) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL14914482 0.88 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3924332-B1 PRODUCTION PROCESSES OF S- AND O-DIACYLATED GAMMA-GLUTAMYL-CYSTEAMINE PRODRUGS UNIV OF SUNDERLAND (GB) 2024-11-06 EP disclosed
US-12060315-B2 Production processes of S- and O-diacylated gamma-glutamyl-cysteamine prodrugs UNIVERSITY OF SUNDERLAND (GB) 2024-08-13 US disclosed
US-20220106267-A1 Production Processes of S- and O-Diacylated Gamma-Glutamyl-Cysteamine Prodrugs UNIVERSITY OF SUNDERLAND (GB) 2022-04-07 US disclosed
EP-3924332-A1 PRODUCTION PROCESSES OF S- AND O-DIACYLATED GAMMA-GLUTAMYL-CYSTEAMINE PRODRUGS University of Sunderland (GB) 2021-12-22 EP disclosed
CN-113423688-A Process for the production of prodrugs of S-and O-diacylated gamma-glutamyl-cysteamine 桑德兰大学 2021-09-21 CN disclosed
WO-2020165601-A1 PRODUCTION PROCESSES OF S- AND O-DIACYLATED GAMMA-GLUTAMYL-CYSTEAMINE PRODRUGS UNIVERSITY OF SUNDERLAND (GB) 2020-08-20 WO disclosed
WO-2020165601-A1 PRODUCTION PROCESSES OF S- AND O-DIACYLATED GAMMA-GLUTAMYL-CYSTEAMINE PRODRUGS UNIVERSITY OF SUNDERLAND (GB) 2020-08-20 WO disclosed
US-8841476-B2 Preparation of crystalline ezatiostat hydrochloride ansolvate form D TELIK, INC. (US) 2014-09-23 US disclosed
US-8841476-B2 Preparation of crystalline ezatiostat hydrochloride ansolvate form D TELIK, INC. (US) 2014-09-23 US disclosed
US-20120277439-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND y-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME TANAKA KEIGO (JP) 2012-11-01 US disclosed
US-8188119-B2 Pyridine derivatives substituted with heterocyclic ring and γ-glutamylamino group, and antifungal agents containing same EISAI R&D MANAGEMENT CO., LTD (JP) 2012-05-29 US disclosed
WO-2011156061-A1 PREPARATION OF CRYSTALLINE EZATIOSTAT HYDROCHLORIDE ANSOLVATE FORM D TELIK, INC. (US) 2011-12-15 WO disclosed
US-20110301376-A1 PREPARATION OF CRYSTALLINE EZATIOSTAT HYDROCHLORIDE ANSOLVATE FORM D TELIK, INC. 2011-12-08 US disclosed
US-20110301376-A1 PREPARATION OF CRYSTALLINE EZATIOSTAT HYDROCHLORIDE ANSOLVATE FORM D TELIK, INC. 2011-12-08 US disclosed
EP-2351752-A1 PYRIDINE DERIVATIVE HAVING SUBSTITUTED HETERO RING AND SUBSTITUTED y-GLUTAMYLAMINO GROUP, AND ANTI-FUNGAL AGENT COMPRISING SAME Eisai R&D Management Co., Ltd. (JP) 2011-08-03 EP disclosed
US-20100105737-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND gamma-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-29 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 (5 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-20100105737-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND gamma-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME ASNS, ERG28, GLUL CYP1A2 231/4885CYP2C9 511/4885CYP2C19 442/4885
US-20120277439-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND y-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME ASNS, GLUL, IL4I1 CYP1A2 92/4885CYP2C9 359/4885CYP2C19 254/4885
US-20220106267-A1 Production Processes of S- and O-Diacylated Gamma-Glutamyl-Cysteamine Prodrugs GGH, QPCT, CTH CYP1A2 150/4885CYP2C9 49/4885CYP2C19 88/4885
US-12060315-B2 Production processes of S- and O-diacylated gamma-glutamyl-cysteamine prodrugs GGH, QPCT, CTH CYP1A2 150/4885CYP2C9 49/4885CYP2C19 88/4885
US-20110301376-A1 PREPARATION OF CRYSTALLINE EZATIOSTAT HYDROCHLORIDE ANSOLVATE FORM D EZR, PCSK9, PEPD CYP1A2 373/4885CYP2C9 243/4885CYP2C19 138/4885

“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.