SCHEMBL14075712

SCHEMBL14075712

N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)C2O[C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)[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 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 4/20 0.42
▸ ITGAV P06756 4/20 0.42
▸ MC4R P32245 16/20 0.40
▸ MC5R P33032 16/20 0.40
▸ MC3R P41968 16/20 0.40
▸ MC1R Q01726 15/20 0.40
▸ ITGB1 P05556 2/20 0.39
▸ ITGA5 P08648 2/20 0.39

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
SCHEMBL13481609 0.91 ITGB3 (0.45) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL14075702 0.89 MC4R (0.44) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL14075662 0.88 MC4R (0.42) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL14075690 0.88 MC4R (0.42) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL14075694 0.88 ITGB3 (0.45) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL14075666 0.88 ITGB3 (0.45) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL14075701 0.87 ITGB3 (0.42) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL14075682 0.86 ITGB3 (0.47) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL14075709 0.85 ITGB3 (0.47) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL14075659 0.85 ITGB3 (0.45) ITGB3ITGAVMC4RMC5RMC3R

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 8/4885MC4R 317/4885

“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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