SCHEMBL17722504

SCHEMBL17722504

CC[C@H](C)[C@H](NC(=O)[C@@H](N)[C@@H](S)C(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 1/20 0.55
▸ LNPEP Q9UIQ6 1/20 0.55
▸ SLC6A2 P23975 1/20 0.54
▸ NTSR2 O95665 13/20 0.53
▸ NTSR1 P30989 13/20 0.53
▸ SORT1 Q99523 12/20 0.53

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
SCHEMBL17722487 0.91 SLC6A2 (0.52) SLC6A2
SCHEMBL17722474 0.91 OPRM1 (0.52) SLC6A2
SCHEMBL17722494 0.89 OPRM1 (0.56) —
SCHEMBL17722502 0.88 OPRM1 (0.49) —
SCHEMBL17722503 0.87 OPRM1 (0.49) —
SCHEMBL17722475 0.86 OPRM1 (0.55) NTSR2NTSR1SORT1
SCHEMBL17722488 0.85 OPRM1 (0.49) SLC6A2
SCHEMBL17722501 0.84 OPRM1 (0.47) —
SCHEMBL31356485 0.83 ANPEP (0.64) ANPEPLNPEPSLC6A2NTSR2NTSR1
SCHEMBL30688072 0.82 ANPEP (0.56) ANPEPLNPEPSLC6A2NTSR2NTSR1

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-20160122383-A1 Peptide Ligation THE UNIVERSITY OF SYDNEY (AU) 2016-05-05 — — 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-20160122383-A1 Peptide Ligation PTMS, PTMA, QPCTL ANPEP 15/4885LNPEP 8/4885SLC6A2 3038/4885

“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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