SCHEMBL22349748

SCHEMBL22349748

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 1/20 0.54
▸ ITGB3 P05106 10/20 0.53
▸ ITGAV P06756 6/20 0.53
▸ ITGB5 P18084 3/20 0.53
▸ MC4R P32245 8/20 0.52
▸ MC5R P33032 8/20 0.52
▸ MC3R P41968 8/20 0.52
▸ MC1R Q01726 8/20 0.52
▸ ITGA2B P08514 5/20 0.51
▸ ITGB1 P05556 2/20 0.51
▸ ITGA5 P08648 2/20 0.51
▸ ITGB6 P18564 1/20 0.51
▸ ITGB8 P26012 1/20 0.51
▸ FURIN P09958 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
SCHEMBL23776220 1.00 CTSD (0.54) CTSDITGB3ITGAVITGB5MC4R
SCHEMBL19605458 0.92 ITGB3 (0.58) ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL20888358 0.92 ITGB3 (0.58) ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL21766911 0.92 ITGB3 (0.58) ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL24016803 0.91 ITGB3 (0.51) ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL23776332 0.91 ITGB3 (0.51) ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL24016815 0.91 ITGB3 (0.51) ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL12496488 0.90 ITGB3 (0.55) ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL23018575 0.90 ITGB3 (0.55) ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL14885797 0.90 ITGB3 (0.55) ITGB3ITGAVITGB5MC4RMC5R

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 CTSD 606/4885ITGB3 4851/4885ITGAV 4672/4885
US-20220372073-A1 CYCLOPEPTIDE AND METHOD FOR PREPARING THE SAME PPIL4, PPIB, PPID CTSD 923/4885ITGB3 4680/4885ITGAV 4345/4885

“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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