SCHEMBL13483340

SCHEMBL13483340

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

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.53
▸ KMT2A Q03164 2/20 0.48
▸ MDM4 O15151 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ EPHX2 P34913 1/20 0.46

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
SCHEMBL13296559 1.00 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL30593377 0.90 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL1667845 0.90 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29357309 0.90 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL14407149 0.90 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL30001216 0.90 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL30186613 0.90 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL16003177 0.90 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL22144908 0.90 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL30878000 0.90 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2

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-7667076-B2 Amide forming chemical ligation REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-02-23 — — US disclosed
US-20070060773-A1 Amide forming chemical ligation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-03-15 — — 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-20070060773-A1 Amide forming chemical ligation CPS1, GLUL, PCCA CASP3 4251/4885KMT2A 151/4885MDM4 3251/4885

“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.

Send feedback