SCHEMBL31370693

SCHEMBL31370693

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

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
CASP3 P42574 4/20 0.51
EPHX2 P34913 1/20 0.48
MDM4 O15151 2/20 0.46
TP53 P04637 2/20 0.46
PIN1 Q13526 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
SCHEMBL3267363 0.88 KMT2A (0.54) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL22923671 0.87 KMT2A (0.56) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL15317905 0.86 CASP3 (0.51) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL6795717 0.85 KMT2A (0.54) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL8451314 0.85 KMT2A (0.57) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL31369823 0.85 CASP3 (0.52) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL800060 0.85 CASP3 (0.52) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL31688670 0.85 CASP3 (0.52) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL5743980 0.85 CASP3 (0.52) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL15960136 0.85 KMT2A (0.51) KMT2ACASP3EPHX2MDM4TP53

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-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 KMT2A 3415/4885CASP3 4451/4885EPHX2 4829/4885

“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.