SCHEMBL30948714

SCHEMBL30948714

CC(C)(C)OC(=O)[C@H](CCC(=O)C=[N+]=[N-])NC(=O)[C@H](CCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.45
▸ CTSS P25774 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ CTSL P07711 1/20 0.42
▸ MDM4 O15151 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MDM2 Q00987 1/20 0.41
▸ SCN9A Q15858 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
SCHEMBL30919303 0.94 PTPN1 (0.44) PTPN1MDM4TP53MDM2
SCHEMBL30948747 0.93 PTPN1 (0.48) PTPN1CTSSCTSKCTSLMDM4
SCHEMBL30919280 0.91 PTPN1 (0.44) PTPN1MDM4TP53MDM2
SCHEMBL30948674 0.91 MDM4 (0.45) MDM4TP53MDM2
SCHEMBL30948717 0.90 MDM4 (0.41) PTPN1MDM4TP53MDM2
SCHEMBL30948814 0.89 PTPN1 (0.48) PTPN1MDM4TP53MDM2
SCHEMBL30948715 0.88 MDM4 (0.40) PTPN1MDM4TP53MDM2
SCHEMBL30948704 0.87 BACE1 (0.49) PTPN1CTSSCTSKMDM4TP53
SCHEMBL30948651 0.87 PTPN1 (0.47) PTPN1CTSSCTSKMDM4TP53
SCHEMBL28741636 0.86 CTSS (0.51) CTSSCTSKMDM4TP53MDM2

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 1 patent. 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

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-20240246902-A1 PRODRUGS OF 6-DIAZO-5-OXO-L-NORLEUCINE GLUL, GLS, GLS2 PTPN1 2023/4885CTSS 1400/4885CTSK 1923/4885

“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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