SCHEMBL18452864

SCHEMBL18452864

CC(C)OC(=O)C(CCC(=O)C=[N+]=[N-])NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 3/20 0.45
▸ CASP3 P42574 3/20 0.44
▸ MDM4 O15151 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ PTPN1 P18031 2/20 0.42
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL29676672 1.00 TLR2 (0.45) TLR2CASP3MDM4TP53PTPN1
SCHEMBL26262664 1.00 TLR2 (0.45) TLR2CASP3MDM4TP53PTPN1
SCHEMBL30919311 0.96 PTPN1 (0.46) TLR2PTPN1
SCHEMBL29938622 0.93 PTPN1 (0.49) TLR2CASP3PTPN1
SCHEMBL18452568 0.93 PTPN1 (0.49) TLR2CASP3PTPN1
SCHEMBL30919318 0.93 PTPN1 (0.46) TLR2PTPN1
SCHEMBL30948796 0.91 CASP3 (0.46) TLR2CASP3MDM4TP53KMT2A
SCHEMBL26940363 0.91 CASP3 (0.46) TLR2CASP3MDM4TP53KMT2A
SCHEMBL3044166 0.89 TLR2 (0.46) TLR2CASP3MDM4TP53KMT2A
SCHEMBL30948677 0.89 TLR2 (0.46) TLR2CASP3MDM4TP53KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11926640-B2 Prodrugs of glutamine analogs THE JOHNS HOPKINS UNIVERSITY (US) 2024-03-12 — — US disclosed
EP-3328827-B1 PRODRUGS OF GLUTAMINE ANALOGS UNIV JOHNS HOPKINS (US) 2023-07-05 — — EP disclosed
CN-113677338-A Method for preparing DON prodrug from L-pyroglutamic acid 羿尊生物医药股份有限公司 2021-11-19 — — CN disclosed
US-20210206787-A1 PRODRUGS OF GLUTAMINE ANALOGS Ústav organické chemie a biochemie AV CR, v.v.i. (CZ) 2021-07-08 — — US disclosed
CN-112920092-A Prodrugs of glutamine analogs 约翰霍普金斯大学 2021-06-08 — — CN disclosed
US-10954257-B2 Prodrugs of glutamine analogs THE JOHNS HOPKINS UNIVERSITY (US) 2021-03-23 — — US disclosed
CN-108290827-B Prodrugs of glutamine analogs 约翰霍普金斯大学 2021-01-01 — — CN disclosed
US-10738066-B2 Prodrugs of glutamine analogs THE JOHNS HOPKINS UNIVERSITY (US) 2020-08-11 — — US disclosed
US-20190315784-A1 PRODRUGS OF GLUTAMINE ANALOGS DEERFIELD MANAGEMENT COMPANY, L.P. (SERIES C), AS COLLATERAL AGENT 2019-10-17 — — US disclosed
US-20190315783-A1 PRODRUGS OF GLUTAMINE ANALOGS DEERFIELD MANAGEMENT COMPANY, L.P. (SERIES C), AS COLLATERAL AGENT 2019-10-17 — — US disclosed
US-10336778-B2 Prodrugs of glutamine analogs THE JOHNS HOPKINS UNIVERSITY (US) 2019-07-02 — — US disclosed
US-20180222930-A1 PRODRUGS OF GLUTAMINE ANALOGS DEERFIELD MANAGEMENT COMPANY, L.P. (SERIES C), AS COLLATERAL AGENT 2018-08-09 — — US disclosed
US-20180222930-A1 PRODRUGS OF GLUTAMINE ANALOGS DEERFIELD MANAGEMENT COMPANY, L.P. (SERIES C), AS COLLATERAL AGENT 2018-08-09 — — US disclosed
US-20180193362-A1 GLUTAMINE ANTAGONISTS FOR THE TREATMENT OF COGNITIVE DEFICITS AND PSYCHIATRIC DISORDERS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2018-07-12 — — US disclosed
EP-3328827-A1 PRODRUGS OF GLUTAMINE ANALOGS The Johns Hopkins University (US) 2018-06-06 — — EP disclosed
WO-2017023774-A9 PRODRUGS OF GLUTAMINE ANALOGS THE JOHNS HOPKINS UNIVERSITY (US) 2017-11-23 — — WO disclosed
WO-2017023774-A1 PRODRUGS OF GLUTAMINE ANALOGS THE JOHNS HOPKINS UNIVERSITY (US) 2017-02-09 — — 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 (9 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-20210206787-A1 PRODRUGS OF GLUTAMINE ANALOGS GLUL, GLS, GLS2 TLR2 4356/4885CASP3 2577/4885MDM4 1014/4885
US-10738066-B2 Prodrugs of glutamine analogs GLUL, GLS, GLS2 TLR2 4364/4885CASP3 2232/4885MDM4 1269/4885
US-20180193362-A1 GLUTAMINE ANTAGONISTS FOR THE TREATMENT OF COGNITIVE DEFICITS AND PSYCHIATRIC DISORDERS GLUL, GLS2, SLC1A2 TLR2 3537/4885CASP3 4114/4885MDM4 755/4885
US-11926640-B2 Prodrugs of glutamine analogs GLUL, GLS, GLS2 TLR2 4364/4885CASP3 2232/4885MDM4 1269/4885
US-20190315783-A1 PRODRUGS OF GLUTAMINE ANALOGS GLUL, GLS, GLS2 TLR2 4364/4885CASP3 2232/4885MDM4 1269/4885
US-10336778-B2 Prodrugs of glutamine analogs GLUL, GLS, GLS2 TLR2 4364/4885CASP3 2232/4885MDM4 1269/4885
US-10954257-B2 Prodrugs of glutamine analogs GLUL, GLS, GLS2 TLR2 4364/4885CASP3 2232/4885MDM4 1269/4885
US-20180222930-A1 PRODRUGS OF GLUTAMINE ANALOGS GLUL, GLS, GLS2 TLR2 4364/4885CASP3 2232/4885MDM4 1269/4885
US-20190315784-A1 PRODRUGS OF GLUTAMINE ANALOGS GLUL, GLS, GLS2 TLR2 4364/4885CASP3 2232/4885MDM4 1269/4885

“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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