SCHEMBL31369823

SCHEMBL31369823

CC[C@@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.52
MDM4 O15151 2/20 0.49
TP53 P04637 2/20 0.49
KMT2A Q03164 2/20 0.49
EPHX2 P34913 1/20 0.46
TLR2 O60603 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
SCHEMBL31688670 1.00 CASP3 (0.52) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL5743980 1.00 CASP3 (0.52) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL800060 1.00 CASP3 (0.52) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL31000503 0.91 CASP3 (0.50) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL18921015 0.89 CASP3 (0.53) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL30422045 0.89 CASP3 (0.53) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL20338568 0.89 CASP3 (0.53) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL18614231 0.89 CASP3 (0.53) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL21837734 0.89 TLR2 (0.51) CASP3MDM4TP53KMT2ATLR2
SCHEMBL21837732 0.89 TLR2 (0.51) CASP3MDM4TP53KMT2ATLR2

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 CASP3 4451/4885MDM4 2155/4885TP53 3262/4885

“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.