SCHEMBL14075679

SCHEMBL14075679

N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)C2O[C@H](CNC(=O)Cn3cc(CCCF)nn3)[C@H](O)C(O)[C@@H]2O)n2cc(nn2)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 9/20 0.46
▸ ITGAV P06756 9/20 0.46
▸ ITGA5 P08648 5/20 0.46
▸ ITGB1 P05556 3/20 0.46
▸ FOLH1 Q04609 1/20 0.39
▸ MC4R P32245 10/20 0.39
▸ MC5R P33032 10/20 0.39
▸ MC3R P41968 10/20 0.39
▸ MC1R Q01726 10/20 0.39
▸ ITGB5 P18084 3/20 0.36

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
SCHEMBL14075649 1.00 ITGB3 (0.46) ITGB3ITGAVITGA5ITGB1FOLH1
SCHEMBL14075659 0.96 ITGB3 (0.45) ITGB3ITGAVITGA5ITGB1MC4R
SCHEMBL14075683 0.96 ITGB3 (0.45) ITGB3ITGAVITGA5ITGB1MC4R
SCHEMBL14262725 0.95 ITGB3 (0.41) ITGB3ITGAVITGA5ITGB1FOLH1
SCHEMBL13481611 0.94 ITGB3 (0.50) ITGB3ITGAVITGA5ITGB1FOLH1
SCHEMBL13481573 0.94 ITGB3 (0.50) ITGB3ITGAVITGA5ITGB1FOLH1
SCHEMBL14155274 0.94 ITGB3 (0.50) ITGB3ITGAVITGA5ITGB1FOLH1
SCHEMBL14075650 0.91 ITGB3 (0.53) ITGB3ITGAVITGA5ITGB1MC4R
SCHEMBL14262415 0.91 ITGB3 (0.39) ITGB3ITGAVITGA5ITGB1FOLH1
SCHEMBL14075687 0.89 ITGB3 (0.41) ITGB3ITGAVITGA5ITGB1FOLH1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080213175-A1 Click chemistry-derived cyclic peptidomimetics as integrin markers SIEMENS MEDICAL SOLUTIONS USA, INC. 2008-09-04 — — 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-20080213175-A1 Click chemistry-derived cyclic peptidomimetics as integrin markers ITGB1, ITGAM, ITGB3 ITGB3 3/4885ITGAV 8/4885ITGA5 19/4885

“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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