SCHEMBL18758112

SCHEMBL18758112

Nn1cnc(C[C@@H](C=O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.46
▸ MDM4 O15151 3/20 0.44
▸ TP53 P04637 3/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ MDM2 Q00987 4/20 0.39
▸ EPHX2 P34913 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
SCHEMBL29445631 0.84 CASP3 (0.45) CASP3MDM4TP53MDM2
SCHEMBL10074077 0.83 CASP3 (0.44) CASP3MDM4TP53KMT2AMDM2
SCHEMBL3039215 0.79 CASP3 (0.57) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL13323320 0.79 CASP3 (0.57) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL8355967 0.79 CASP3 (0.57) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL29664082 0.79 CASP3 (0.57) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL13778142 0.79 CASP3 (0.56) CASP3MDM4TP53KMT2AMDM2
SCHEMBL29354463 0.79 CASP3 (0.56) CASP3MDM4TP53KMT2AMDM2
SCHEMBL3123838 0.77 CASP3 (0.51) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL13570148 0.77 CASP3 (0.60) CASP3MDM4TP53KMT2AEPHX2

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-20170107255-A1 APELIN POLYPEPTIDES AMGEN INC. (US) 2017-04-20 — — 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-20170107255-A1 APELIN POLYPEPTIDES APLNR, FABP3, AP3B1 CASP3 785/4885MDM4 3836/4885TP53 3585/4885

“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