SCHEMBL22152104

SCHEMBL22152104

N=C(N)NCCC[C@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(=O)O)NC(=O)CNC1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.47
ITGA2B P08514 4/20 0.47
ITGAV P06756 4/20 0.46
ITGB1 P05556 2/20 0.46
ITGA5 P08648 2/20 0.46
ITGB5 P18084 2/20 0.46
GNAI1 P63096 1/20 0.45
MC4R P32245 9/20 0.45
MC5R P33032 9/20 0.45
MC3R P41968 9/20 0.45
MC1R Q01726 9/20 0.45
CACNA1B Q00975 1/20 0.43
KLKB1 P03952 1/20 0.43

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
SCHEMBL21467217 0.93 CACNA1B (0.49) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL29569086 0.93 ITGB3 (0.49) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL29568895 0.91 ITGB3 (0.51) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL18968797 0.91 ITGB3 (0.51) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL27414456 0.90 ITGB3 (0.48) ITGB3ITGA2BGNAI1CACNA1B
SCHEMBL19581486 0.90 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL21475019 0.90 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL16938095 0.90 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL13107808 0.90 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7743878 0.90 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB1ITGA5

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-20200197424-A1 LONG-CIRCULATING LIPOSOME MODIFIED WITH C(RGD-ACP-K) BEIJING GREATSUN BIO-PHARM. TECH. CO., LTD (CN) 2020-06-25 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-20200197424-A1 LONG-CIRCULATING LIPOSOME MODIFIED WITH C(RGD-ACP-K) VEGFA, DCK, ACP1 ITGB3 836/4885ITGA2B 382/4885ITGAV 80/4885

“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.