SCHEMBL13254567

SCHEMBL13254567

CC(O)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(N)CSSC[C@@H](C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.65
SLC6A3 Q01959 1/20 0.61
EPS15 P42566 1/20 0.58
ITGB3 P05106 1/20 0.57
ITGAV P06756 1/20 0.57
ITGA2B P08514 1/20 0.57
KDM4A O75164 1/20 0.56
NECTIN4 Q96NY8 2/20 0.55
KLK5 Q9Y337 4/20 0.55
SSTR4 P31391 6/20 0.55
SSTR3 P32745 4/20 0.55
SSTR2 P30874 3/20 0.55
SSTR5 P35346 3/20 0.55
KLKB1 P03952 1/20 0.53
EPHA2 P29317 1/20 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
SCHEMBL13254563 0.93 EPS15 (0.61) PCSK9EPS15NECTIN4KLK5KLKB1
SCHEMBL24483647 0.83 SLC6A3 (0.85) PCSK9SLC6A3EPS15ITGB3ITGAV
SCHEMBL29362264 0.83 PCSK9 (0.58) PCSK9SLC6A3EPS15KDM4ANECTIN4
SCHEMBL29462281 0.82 SLC6A3 (0.65) PCSK9SLC6A3ITGB3ITGAVNECTIN4
SCHEMBL29938261 0.79 SSTR4 (0.81) SSTR4SSTR3SSTR2SSTR5
SCHEMBL29693078 0.79 TACR1 (0.62) KDM4A
SCHEMBL29938084 0.79 SSTR4 (0.81) SSTR4SSTR3SSTR2SSTR5
SCHEMBL29938282 0.78 SSTR4 (0.82) SSTR4SSTR3SSTR2SSTR5
SCHEMBL29938331 0.78 SSTR4 (0.82) SSTR4SSTR3SSTR2SSTR5
SCHEMBL29938207 0.78 SSTR4 (0.82) SSTR4SSTR3SSTR2SSTR5

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-9090668-B2 Process for synthesizing cyclic peptide compound THE UNIVERSITY OF TOKYO (JP) 2015-07-28 US disclosed
US-20100168380-A1 PROCESS FOR SYNTHESIZING CYCLIC PEPTIDE COMPOUND THE UNIVERSITY OF TOKYO (JP) 2010-07-01 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-20100168380-A1 PROCESS FOR SYNTHESIZING CYCLIC PEPTIDE COMPOUND VIP, NGLY1, QPCT PCSK9 426/4885SLC6A3 4880/4885EPS15 1042/4885

“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.