SCHEMBL31754286

SCHEMBL31754286

O=C(N[C@@H](Cc1cccnc1F)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.52
TP53 P04637 3/20 0.52
MDM2 Q00987 6/20 0.50
CASP3 P42574 2/20 0.46
KMT2A Q03164 1/20 0.45
SLC17A5 Q9NRA2 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45

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
SCHEMBL31754304 0.89 MDM4 (0.52) MDM4TP53MDM2CASP3KMT2A
SCHEMBL25361169 0.87 MDM4 (0.52) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL25354137 0.87 MDM4 (0.52) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL25354133 0.87 MDM4 (0.52) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL31754306 0.87 MDM4 (0.53) MDM4TP53MDM2CASP3KMT2A
SCHEMBL119553 0.86 MDM4 (0.54) MDM4TP53MDM2CASP3KMT2A
SCHEMBL3724545 0.86 MDM4 (0.54) MDM4TP53MDM2CASP3KMT2A
SCHEMBL29928742 0.86 MDM4 (0.54) MDM4TP53MDM2CASP3KMT2A
SCHEMBL119590 0.86 MDM4 (0.54) MDM4TP53MDM2CASP3KMT2A
SCHEMBL30759437 0.86 MDM4 (0.54) MDM4TP53MDM2CASP3KMT2A

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-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2026-01-01 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-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS KRAS, NRAS, HRAS MDM4 1577/4885TP53 11/4885MDM2 85/4885

“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.