SCHEMBL22349714

SCHEMBL22349714

N=C(N)NCCC[C@@H]1NC(=O)CCOCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 12/20 0.53
▸ ITGAV P06756 8/20 0.53
▸ ITGA5 P08648 3/20 0.53
▸ MC4R P32245 8/20 0.50
▸ MC5R P33032 8/20 0.50
▸ MC3R P41968 8/20 0.50
▸ MC1R Q01726 8/20 0.50
▸ ITGA2B P08514 4/20 0.50
▸ ITGB5 P18084 3/20 0.50
▸ ITGB1 P05556 1/20 0.49

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
SCHEMBL24016804 1.00 ITGB3 (0.53) ITGB3ITGAVITGA5MC4RMC5R
SCHEMBL19605458 0.90 ITGB3 (0.58) ITGB3ITGAVITGA5MC4RMC5R
SCHEMBL20888358 0.90 ITGB3 (0.58) ITGB3ITGAVITGA5MC4RMC5R
SCHEMBL21766911 0.90 ITGB3 (0.58) ITGB3ITGAVITGA5MC4RMC5R
SCHEMBL24016815 0.89 ITGB3 (0.51) ITGB3ITGAVITGA5MC4RMC5R
SCHEMBL23776332 0.89 ITGB3 (0.51) ITGB3ITGAVITGA5MC4RMC5R
SCHEMBL22349748 0.89 CTSD (0.54) ITGB3ITGAVITGA5MC4RMC5R
SCHEMBL23776220 0.89 CTSD (0.54) ITGB3ITGAVITGA5MC4RMC5R
SCHEMBL24016803 0.89 ITGB3 (0.51) ITGB3ITGAVITGA5MC4RMC5R
SCHEMBL23018575 0.89 ITGB3 (0.55) ITGB3ITGAVITGA5MC4RMC5R

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-20220372073-A1 CYCLOPEPTIDE AND METHOD FOR PREPARING THE SAME NATIONAL TSING HUA UNIVERSITY (TW) 2022-11-24 — — US disclosed
US-10745444-B2 Cyclopeptide, pharmaceutical or cosmetic composition comprising the same and method for preparing the same NATIONAL TSING HUA UNIVERSITY (TW) 2020-08-18 — — 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 (2 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-10745444-B2 Cyclopeptide, pharmaceutical or cosmetic composition comprising the same and method for preparing the same PSAP, PPIG, PPIB ITGB3 4851/4885ITGAV 4672/4885ITGA5 4507/4885
US-20220372073-A1 CYCLOPEPTIDE AND METHOD FOR PREPARING THE SAME PPIL4, PPIB, PPID ITGB3 4680/4885ITGAV 4345/4885ITGA5 3594/4885

“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