SCHEMBL31369887

SCHEMBL31369887

O=C(CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)Nc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 2/20 0.53
MDM2 Q00987 6/20 0.49
MDM4 O15151 2/20 0.49
TP53 P04637 2/20 0.49
CASP3 P42574 2/20 0.45
EPHX2 P34913 1/20 0.44
SLC17A5 Q9NRA2 1/20 0.44
KMT2A Q03164 1/20 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
SCHEMBL28686934 0.93 TLR2 (0.57) TLR2MDM2MDM4TP53CASP3
SCHEMBL22702156 0.93 TLR2 (0.57) TLR2MDM2MDM4TP53CASP3
SCHEMBL31370150 0.90 TLR2 (0.53) TLR2MDM2MDM4TP53CASP3
SCHEMBL31369717 0.89 EPHX2 (0.52) TLR2MDM2MDM4TP53CASP3
SCHEMBL12474373 0.87 TLR2 (0.51) TLR2MDM2MDM4TP53CASP3
SCHEMBL31370101 0.83 EPHX2 (0.52) TLR2MDM2MDM4TP53EPHX2
SCHEMBL31369789 0.83 FOLH1 (0.54) TLR2MDM2MDM4TP53CASP3
SCHEMBL21838008 0.83 MDM4 (0.52) TLR2MDM2MDM4TP53CASP3
SCHEMBL21838005 0.83 MDM4 (0.52) TLR2MDM2MDM4TP53CASP3
SCHEMBL30792874 0.83 MDM4 (0.52) TLR2MDM2MDM4TP53CASP3

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 TLR2 4097/4885MDM2 2036/4885MDM4 2155/4885

“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.