SCHEMBL21452895

SCHEMBL21452895

CN(CC(=O)O)C(=O)CN(C)C(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
CASP3 P42574 3/20 0.43
EPHX2 P34913 1/20 0.42
OPRD1 P41143 1/20 0.41
MDM4 O15151 1/20 0.39
TP53 P04637 1/20 0.39
FABP7 O15540 1/20 0.39
FABP5 Q01469 1/20 0.39

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
SCHEMBL30886057 1.00 KMT2A (0.60) KMT2ACASP3EPHX2OPRD1MDM4
SCHEMBL24406209 0.86 KMT2A (0.56) KMT2ACASP3EPHX2OPRD1MDM4
SCHEMBL30367121 0.86 KMT2A (0.56) KMT2ACASP3EPHX2OPRD1MDM4
SCHEMBL30905364 0.83 KMT2A (0.44) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL31317449 0.83 KMT2A (0.44) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL29861643 0.83 KMT2A (0.44) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL31584391 0.83 KMT2A (0.44) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL31317420 0.83 KMT2A (0.44) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL29299774 0.83 KMT2A (0.44) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL25821923 0.83 KMT2A (0.44) 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-20190307836-A1 HETEROTANDEM BICYCLIC PEPTIDE COMPLEXES BICYCLETX LTD (GB) 2019-10-10 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-20190307836-A1 HETEROTANDEM BICYCLIC PEPTIDE COMPLEXES TIMCC, TAP1, CD81 KMT2A 2904/4885CASP3 527/4885EPHX2 2622/4885

“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.