SCHEMBL13481608

SCHEMBL13481608

N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)C2O[C@H](CN)[C@H](O)C(O)[C@@H]2O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 12/20 0.50
▸ ITGAV P06756 8/20 0.50
▸ ITGA5 P08648 3/20 0.50
▸ ITGB1 P05556 1/20 0.50
▸ MC4R P32245 8/20 0.47
▸ MC5R P33032 8/20 0.47
▸ MC3R P41968 8/20 0.47
▸ MC1R Q01726 8/20 0.47
▸ ITGB5 P18084 4/20 0.46
▸ ITGA2B P08514 4/20 0.46

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
SCHEMBL13481946 1.00 ITGB3 (0.50) ITGB3ITGAVITGA5ITGB1MC4R
SCHEMBL29405735 0.90 ITGB3 (0.62) ITGB3ITGAVITGA5ITGB1ITGB5
SCHEMBL14075702 0.90 MC4R (0.44) ITGB3ITGAVITGA5ITGB1MC4R
SCHEMBL14075642 0.90 ITGB3 (0.47) ITGB3ITGAVITGA5ITGB1MC4R
SCHEMBL279087 0.90 ITGB3 (0.47) ITGB3ITGAVITGA5ITGB1MC4R
SCHEMBL18080800 0.87 ITGB3 (0.49) ITGB3ITGAVITGA5ITGB1MC4R
SCHEMBL13481610 0.87 ITGB3 (0.49) ITGB3ITGAVITGA5ITGB1MC4R
SCHEMBL13465281 0.87 ITGB3 (0.49) ITGB3ITGAVITGA5ITGB1MC4R
Trifluoroacetic Acid SCHEMBL30116037 0.87 ITGB3 (0.61) ITGB3ITGAVITGA5ITGB1ITGB5
SCHEMBL13481609 0.86 ITGB3 (0.45) ITGB3ITGAVITGA5ITGB1MC4R

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-7666392-B2 Click chemistry-derived cyclopeptide derivatives as imaging agents for integrins SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-02-23 — — US disclosed
US-20080170992-A1 Click chemistry-derived cyclopeptide derivatives as imaging agents for integrins SIEMENS MEDICAL SOLUTIONS USA, INC. 2008-07-17 — — 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-20080170992-A1 Click chemistry-derived cyclopeptide derivatives as imaging agents for integrins ITGB3, VCAM1, ITGB1 ITGB3 1/4885ITGAV 5/4885ITGA5 37/4885

“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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