SCHEMBL278883

SCHEMBL278883

C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCNC(=O)C2O[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 13)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.42
▸ ITGB3 P05106 3/20 0.41
▸ ITGB1 P05556 3/20 0.41
▸ ITGAV P06756 3/20 0.41
▸ ITGA5 P08648 3/20 0.41
▸ KRAS P01116 1/20 0.36
▸ MC4R P32245 9/20 0.35
▸ MC5R P33032 9/20 0.35
▸ MC3R P41968 9/20 0.35
▸ MC1R Q01726 9/20 0.35
▸ PIN1 Q13526 1/20 0.34
▸ KLKB1 P03952 3/20 0.34
▸ ITGB5 P18084 1/20 0.34

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
SCHEMBL279107 1.00 FOLH1 (0.42) FOLH1ITGB3ITGB1ITGAVITGA5
SCHEMBL14155274 0.93 ITGB3 (0.50) FOLH1ITGB3ITGB1ITGAVITGA5
SCHEMBL13481611 0.93 ITGB3 (0.50) FOLH1ITGB3ITGB1ITGAVITGA5
SCHEMBL13481573 0.93 ITGB3 (0.50) FOLH1ITGB3ITGB1ITGAVITGA5
SCHEMBL279113 0.88 ITGB3 (0.42) FOLH1ITGB3ITGB1ITGAVITGA5
SCHEMBL14075649 0.87 ITGB3 (0.46) FOLH1ITGB3ITGB1ITGAVITGA5
SCHEMBL14075679 0.87 ITGB3 (0.46) FOLH1ITGB3ITGB1ITGAVITGA5
SCHEMBL12227495 0.87 ITGB3 (0.44) FOLH1ITGB3ITGB1ITGAVITGA5
SCHEMBL13941300 0.87 ITGB3 (0.44) FOLH1ITGB3ITGB1ITGAVITGA5
SCHEMBL14075659 0.82 ITGB3 (0.45) 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 FOLH1 554/4885ITGB3 1/4885ITGB1 3/4885

“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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