SCHEMBL14477381

SCHEMBL14477381

C=CCN(CC(=O)O)C(=O)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.53
KMT2A Q03164 2/20 0.42
PIN1 Q13526 1/20 0.40
MDM4 O15151 2/20 0.40
TP53 P04637 2/20 0.40
EPHX2 P34913 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL13184542 1.00 CASP3 (0.53) CASP3KMT2APIN1MDM4TP53
SCHEMBL13165057 1.00 CASP3 (0.53) CASP3KMT2APIN1MDM4TP53
SCHEMBL13184539 0.88 CASP3 (0.46) CASP3KMT2APIN1MDM4TP53
SCHEMBL13165055 0.88 CASP3 (0.46) CASP3KMT2APIN1MDM4TP53
SCHEMBL5201071 0.87 CASP3 (0.53) CASP3KMT2APIN1MDM4TP53
SCHEMBL13165049 0.84 CASP3 (0.40) CASP3KMT2AEPHX2
SCHEMBL29670306 0.84 CASP3 (0.55) CASP3KMT2APIN1MDM4TP53
SCHEMBL22457542 0.84 CASP3 (0.55) CASP3KMT2APIN1MDM4TP53
SCHEMBL29609769 0.79 CASP3 (0.55) CASP3KMT2APIN1MDM4TP53
SCHEMBL24201195 0.79 CASP3 (0.58) CASP3KMT2APIN1MDM4TP53

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-20130005943-A1 Methods for Preparing Internally Constrained Peptides and Peptidomimetics ARORA PARAMJIT (US) 2013-01-03 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-20130005943-A1 Methods for Preparing Internally Constrained Peptides and Peptidomimetics VIP, IAPP, PTMA CASP3 1153/4885KMT2A 4780/4885PIN1 26/4885

“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.