SCHEMBL30948772

SCHEMBL30948772

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ TLR2 O60603 3/20 0.40
▸ TLR1 Q15399 1/20 0.40
▸ MDM4 O15151 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MDM2 Q00987 1/20 0.38
▸ CASP3 P42574 1/20 0.38

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
SCHEMBL30948635 0.92 KMT2A (0.41) KMT2ATLR2TLR1MDM4TP53
SCHEMBL30948674 0.90 MDM4 (0.45) TLR2MDM4TP53MDM2CASP3
SCHEMBL30919280 0.89 PTPN1 (0.44) TLR2MDM4TP53MDM2
SCHEMBL30919303 0.87 PTPN1 (0.44) MDM4TP53MDM2CASP3
SCHEMBL29938666 0.86 PTPN1 (0.41) KMT2ATLR2TLR1
SCHEMBL30948715 0.85 MDM4 (0.40) MDM4TP53MDM2CASP3
SCHEMBL29938619 0.85 PTPN1 (0.41) KMT2ATLR2
SCHEMBL30948717 0.84 MDM4 (0.41) MDM4TP53MDM2CASP3
SCHEMBL30919304 0.84 PTPN1 (0.40) TLR2MDM4TP53MDM2
SCHEMBL30948704 0.83 BACE1 (0.49) TLR2MDM4TP53MDM2CASP3

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 KMT2A 1705/4885TLR2 4416/4885TLR1 3948/4885

“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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