SCHEMBL2082602

SCHEMBL2082602

O=C(O)[C@@H]1CCCN1C(=O)CN(Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.52
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PREP P48147 3/20 0.45
FKBP1A P62942 6/20 0.45
CPT2 P23786 1/20 0.44
CPT1A P50416 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL1517872 0.87 ACE (0.49) ACEALDH1A1SMN1; SMN2PREPFKBP1A
SCHEMBL6786455 0.86 ACE (0.52) ACEALDH1A1SMN1; SMN2CPT2CPT1A
SCHEMBL6786452 0.86 ACE (0.52) ACEALDH1A1SMN1; SMN2CPT2CPT1A
SCHEMBL11419558 0.85 ACE (0.53) ACEALDH1A1SMN1; SMN2PREPFKBP1A
SCHEMBL6789072 0.82 ACE (0.55) ACEALDH1A1SMN1; SMN2CPT2CPT1A
SCHEMBL6789083 0.82 ACE (0.55) ACEALDH1A1SMN1; SMN2CPT2CPT1A
SCHEMBL29553 0.78 PREP (0.67) ALDH1A1SMN1; SMN2PREPKMT2A
SCHEMBL475715 0.78 PREP (0.67) ALDH1A1SMN1; SMN2PREPKMT2A
SCHEMBL29658848 0.78 PREP (0.67) ALDH1A1SMN1; SMN2PREPKMT2A
SCHEMBL205223 0.78 PREP (0.67) ALDH1A1SMN1; SMN2PREPKMT2A

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-7863304-B2 Analogs of glycyl-prolyl-glutamate NEUREN PHARMACEUTICALS LIMITED (NZ) 2011-01-04 US disclosed
US-20080145335-A1 Analogs of Glycyl-Prolyl-Glutamate NEUREN PHARMACEUTICALS LIMITED (NZ) 2008-06-19 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-20080145335-A1 Analogs of Glycyl-Prolyl-Glutamate GLS, GLUL, HIF1A ACE 2424/4885ALDH1A1 574/4885SMN1; SMN2 261/4885

“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.