SCHEMBL13918135

SCHEMBL13918135

N=C(N)NCCC[C@@H]1NC(=O)C(CCCCNC(=O)CCN(CCC(=O)NCCCC[C@@H]2NC(=O)N(Cc3ccccc3)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC2=O)C(=O)CCOCCOCCOCCOCCNC(=O)Cn2cc(C[18F])nn2)NC(=O)N(Cc2ccccc2)CC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 8/20 0.43
▸ ITGAV P06756 8/20 0.43
▸ ITGB1 P05556 3/20 0.43
▸ ITGA5 P08648 3/20 0.43
▸ PDGFRB P09619 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ MC4R P32245 7/20 0.40
▸ MC5R P33032 7/20 0.40
▸ MC3R P41968 7/20 0.40
▸ MC1R Q01726 7/20 0.40
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ F2RL1 P55085 4/20 0.37
▸ ITGB5 P18084 2/20 0.37

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
SCHEMBL13918124 0.92 ITGB3 (0.45) ITGB3ITGAVITGB1ITGA5PDGFRB
SCHEMBL12227001 0.92 ITGB3 (0.45) ITGB3ITGAVITGB1ITGA5PDGFRB
SCHEMBL13481604 0.90 ITGB3 (0.52) ITGB3ITGAVITGB1ITGA5PDGFRB
SCHEMBL13940559 0.90 ITGB3 (0.44) ITGB3ITGAVITGB1ITGA5PDGFRB
SCHEMBL12227498 0.90 ITGB3 (0.44) ITGB3ITGAVITGB1ITGA5PDGFRB
SCHEMBL12248205 0.90 ITGB3 (0.44) ITGB3ITGAVITGB1ITGA5PDGFRB
SCHEMBL15107688 0.89 ITGB3 (0.43) ITGB3ITGAVITGB1ITGA5PDGFRB
SCHEMBL12227485 0.89 ITGB3 (0.42) ITGB3ITGAVITGB1ITGA5PDGFRB
SCHEMBL2532508 0.87 ITGB3 (0.47) ITGB3ITGAVITGB1ITGA5PDGFRB
SCHEMBL12227486 0.87 ITGB3 (0.47) ITGB3ITGAVITGB1ITGA5PDGFRB

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-20090074664-A1 CYCLIC AZAPEPTIDES AS INTEGRIN MARKERS SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-03-19 — — 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-20090074664-A1 CYCLIC AZAPEPTIDES AS INTEGRIN MARKERS ITGAV, ITGB3, ITGA2B ITGB3 2/4885ITGAV 1/4885ITGB1 4/4885

“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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