SCHEMBL30948796

SCHEMBL30948796

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

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.46
▸ TLR2 O60603 2/20 0.45
▸ MDM4 O15151 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ MDM2 Q00987 2/20 0.43
▸ KMT2A Q03164 2/20 0.43

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
SCHEMBL26940363 1.00 CASP3 (0.46) CASP3TLR2MDM4TP53MDM2
SCHEMBL30948716 0.93 CASP3 (0.44) CASP3TLR2MDM4TP53MDM2
SCHEMBL30948677 0.92 TLR2 (0.46) CASP3TLR2MDM4TP53MDM2
SCHEMBL5691276 0.92 TLR2 (0.46) CASP3TLR2MDM4TP53MDM2
SCHEMBL3044166 0.92 TLR2 (0.46) CASP3TLR2MDM4TP53MDM2
SCHEMBL29676672 0.91 TLR2 (0.45) CASP3TLR2MDM4TP53KMT2A
SCHEMBL26262664 0.91 TLR2 (0.45) CASP3TLR2MDM4TP53KMT2A
SCHEMBL18452864 0.91 TLR2 (0.45) CASP3TLR2MDM4TP53KMT2A
SCHEMBL22347005 0.91 MDM4 (0.52) CASP3TLR2MDM4TP53MDM2
SCHEMBL22347004 0.91 MDM4 (0.52) CASP3TLR2MDM4TP53MDM2

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 CASP3 1995/4885TLR2 4416/4885MDM4 1846/4885

“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.

Send feedback