SCHEMBL31369717

SCHEMBL31369717

O=C(CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)Nc1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.52
TLR2 O60603 2/20 0.51
MDM4 O15151 3/20 0.47
TP53 P04637 3/20 0.47
MDM2 Q00987 7/20 0.45
MAPK1 P28482 1/20 0.44
SLC17A5 Q9NRA2 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CASP3 P42574 1/20 0.43
TPSAB1 Q15661 1/20 0.43

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
SCHEMBL22702156 0.90 TLR2 (0.57) EPHX2TLR2MDM4TP53MDM2
SCHEMBL28686934 0.90 TLR2 (0.57) EPHX2TLR2MDM4TP53MDM2
SCHEMBL31369887 0.89 TLR2 (0.53) EPHX2TLR2MDM4TP53MDM2
SCHEMBL31369789 0.89 FOLH1 (0.54) EPHX2TLR2MDM4TP53MDM2
SCHEMBL31370150 0.83 TLR2 (0.53) EPHX2TLR2MDM4TP53MDM2
SCHEMBL31370101 0.83 EPHX2 (0.52) EPHX2TLR2MDM4TP53MDM2
SCHEMBL21837671 0.82 MDM4 (0.50) EPHX2TLR2MDM4TP53MDM2
SCHEMBL21837674 0.82 MDM4 (0.50) EPHX2TLR2MDM4TP53MDM2
SCHEMBL30889972 0.82 MDM4 (0.50) EPHX2TLR2MDM4TP53MDM2
SCHEMBL15133312 0.82 TLR2 (0.48) EPHX2TLR2MDM4TP53MDM2

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 EPHX2 4829/4885TLR2 4097/4885MDM4 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.