SCHEMBL279087

SCHEMBL279087

CC([18F])C(=O)NC[C@H]1OC(C(=O)NCCCC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC2=O)[C@@H](O)C(O)[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 11/20 0.47
▸ ITGAV P06756 11/20 0.47
▸ ITGB5 P18084 7/20 0.47
▸ ITGB1 P05556 2/20 0.46
▸ ITGA5 P08648 2/20 0.46
▸ MC4R P32245 8/20 0.46
▸ MC5R P33032 8/20 0.46
▸ MC3R P41968 8/20 0.46
▸ MC1R Q01726 8/20 0.46
▸ CTSG P08311 1/20 0.45

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
SCHEMBL14075642 1.00 ITGB3 (0.47) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL13481561 0.93 ITGB3 (0.46) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL14075690 0.91 MC4R (0.42) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL14075662 0.91 MC4R (0.42) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL17424571 0.90 ITGB3 (0.47) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL13481946 0.90 ITGB3 (0.50) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL13481608 0.90 ITGB3 (0.50) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL18080800 0.87 ITGB3 (0.49) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL13465281 0.87 ITGB3 (0.49) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL13481610 0.87 ITGB3 (0.49) ITGB3ITGAVITGB5ITGB1ITGA5

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-8133472-B2 Cyclopeptides containing RGD mimetics as imaging markers for integrins SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2012-03-13 — — US disclosed
US-20100074844-A1 Cyclopeptides Containing RGD Mimetics As Imaging Markers For Integrins SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-03-25 — — 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-20100074844-A1 Cyclopeptides Containing RGD Mimetics As Imaging Markers For Integrins ITGB3, ITGAV, ITGB1 ITGB3 1/4885ITGAV 2/4885ITGB5 24/4885

“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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