SCHEMBL29676672

SCHEMBL29676672

CC(C)OC(=O)[C@H](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
SCHEMBL18452864 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246902-A1 PRODRUGS OF 6-DIAZO-5-OXO-L-NORLEUCINE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-07-25 — — US disclosed
WO-2023202651-A1 POLYMORPHIC FORMS OF GLUTAMINE ANTAGONIST AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-10-26 — — WO disclosed
US-11760723-B2 Method of preparing a DON prodrug from L-pyroglutamic acid DRACEN PHARMACEUTICALS, INC. (US) 2023-09-19 — — US disclosed
US-20220194898-A1 METHOD OF PREPARING A DON PRODRUG FROM L-PYROGLUTAMIC ACID DEERFIELD MANAGEMENT COMPANY, L.P. (SERIES C), AS COLLATERAL AGENT 2022-06-23 — — 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 (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-20240246902-A1 PRODRUGS OF 6-DIAZO-5-OXO-L-NORLEUCINE GLUL, GLS, GLS2 TLR2 4416/4885CASP3 1995/4885MDM4 1846/4885
US-11760723-B2 Method of preparing a DON prodrug from L-pyroglutamic acid GLS, GLS2, GLO1 TLR2 4442/4885CASP3 678/4885MDM4 1631/4885
US-20220194898-A1 METHOD OF PREPARING A DON PRODRUG FROM L-PYROGLUTAMIC ACID GLS, GLS2, GLO1 TLR2 4442/4885CASP3 678/4885MDM4 1631/4885

“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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