SCHEMBL25658302

SCHEMBL25658302

O=C(N[C@@H](CCCc1cc(F)c(C(F)(F)F)c(F)c1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 7/20 0.54
MDM4 O15151 3/20 0.49
TP53 P04637 3/20 0.49
TLR2 O60603 2/20 0.45
CASP3 P42574 1/20 0.42
SLC17A5 Q9NRA2 1/20 0.42

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
SCHEMBL24633854 0.94 MDM2 (0.51) MDM2MDM4TP53TLR2CASP3
SCHEMBL22444699 0.94 MDM2 (0.51) MDM2MDM4TP53TLR2CASP3
SCHEMBL31369983 0.94 MDM2 (0.51) MDM2MDM4TP53TLR2CASP3
SCHEMBL29855552 0.94 MDM2 (0.51) MDM2MDM4TP53TLR2CASP3
SCHEMBL22444774 0.89 MDM2 (0.51) MDM2MDM4TP53CASP3SLC17A5
SCHEMBL27417735 0.88 MDM2 (0.48) MDM2MDM4TP53TLR2CASP3
SCHEMBL31634977 0.88 MDM2 (0.48) MDM2MDM4TP53TLR2CASP3
SCHEMBL22444786 0.86 MDM2 (0.44) MDM2MDM4TP53CASP3
SCHEMBL22444938 0.85 HDAC1 (0.48) MDM2MDM4TP53
SCHEMBL430008 0.85 MDM2 (0.56) MDM2MDM4TP53TLR2CASP3

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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS MDM2 164/4885MDM4 441/4885TP53 34/4885

“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.