SCHEMBL279113

SCHEMBL279113

C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCNC(=O)C2C[C@H](CNC(=O)Cn3cc(CCC[18F])nn3)[C@H](O)C(O)[C@@H]2O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.42
▸ ITGB1 P05556 1/20 0.42
▸ ITGAV P06756 1/20 0.42
▸ ITGA5 P08648 1/20 0.42
▸ KRAS P01116 1/20 0.37
▸ MC4R P32245 7/20 0.35
▸ MC5R P33032 7/20 0.35
▸ MC3R P41968 7/20 0.35
▸ MC1R Q01726 7/20 0.35
▸ PIN1 Q13526 7/20 0.35
▸ FOLH1 Q04609 1/20 0.35
▸ KLKB1 P03952 3/20 0.35

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
SCHEMBL278883 0.88 FOLH1 (0.42) ITGB3ITGB1ITGAVITGA5KRAS
SCHEMBL279107 0.88 FOLH1 (0.42) ITGB3ITGB1ITGAVITGA5KRAS
SCHEMBL13481611 0.82 ITGB3 (0.50) ITGB3ITGB1ITGAVITGA5MC4R
SCHEMBL14155274 0.82 ITGB3 (0.50) ITGB3ITGB1ITGAVITGA5MC4R
SCHEMBL13481573 0.82 ITGB3 (0.50) ITGB3ITGB1ITGAVITGA5MC4R
SCHEMBL14075649 0.78 ITGB3 (0.46) ITGB3ITGB1ITGAVITGA5MC4R
SCHEMBL14075679 0.78 ITGB3 (0.46) ITGB3ITGB1ITGAVITGA5MC4R
SCHEMBL14075650 0.77 ITGB3 (0.53) ITGB3ITGB1ITGAVITGA5MC4R
SCHEMBL12227495 0.76 ITGB3 (0.44) ITGB3ITGB1ITGAVITGA5MC4R
SCHEMBL13941300 0.76 ITGB3 (0.44) ITGB3ITGB1ITGAVITGA5MC4R

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 1/4885ITGB1 3/4885ITGAV 2/4885

“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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