SCHEMBL31369495

SCHEMBL31369495

O=C(N[C@@H](CCc1cccc2ncccc12)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.49
TP53 P04637 3/20 0.49
MDM2 Q00987 7/20 0.47
CASP3 P42574 2/20 0.45
SLC17A5 Q9NRA2 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
TLR2 O60603 2/20 0.44

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
SCHEMBL25354133 0.91 MDM4 (0.52) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL25354137 0.91 MDM4 (0.52) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL25361169 0.91 MDM4 (0.52) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL31688782 0.85 MDM4 (0.49) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL22444670 0.83 MDM4 (0.55) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL119488 0.81 MDM4 (0.57) MDM4TP53MDM2CASP3TLR2
SCHEMBL29401751 0.81 MDM4 (0.57) MDM4TP53MDM2CASP3TLR2
SCHEMBL800091 0.81 MDM4 (0.57) MDM4TP53MDM2CASP3TLR2
SCHEMBL29401188 0.81 MDM4 (0.57) MDM4TP53MDM2CASP3TLR2
SCHEMBL30854556 0.81 MDM4 (0.57) MDM4TP53MDM2CASP3TLR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 MDM4 2155/4885TP53 3262/4885MDM2 2036/4885

“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.