SCHEMBL13778142

SCHEMBL13778142

O=CCC(C=O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.56
▸ KMT2A Q03164 2/20 0.51
▸ EPHX2 P34913 1/20 0.48
▸ MDM4 O15151 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ FABP7 O15540 1/20 0.41
▸ FABP5 Q01469 1/20 0.41
▸ MDM2 Q00987 1/20 0.41

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
SCHEMBL29354463 1.00 CASP3 (0.56) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL33377881 0.90 CASP3 (0.54) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL10187000 0.88 CASP3 (0.60) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL15223381 0.88 CASP3 (0.57) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL13570148 0.88 CASP3 (0.60) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL12261165 0.88 CASP3 (0.57) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL14787492 0.87 CASP3 (0.56) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL12626898 0.87 CASP3 (0.56) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL4552562 0.86 CASP3 (0.71) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL31498750 0.86 CASP3 (0.71) CASP3KMT2AEPHX2MDM4TP53

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-20090171068-A1 Method of peptide synthesis LONZA LTD. (CH) 2009-07-02 — — 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-20090171068-A1 Method of peptide synthesis PTMS, TMSB4X, TMSB10 CASP3 4079/4885KMT2A 4431/4885EPHX2 3865/4885

“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.

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