SCHEMBL13656565

SCHEMBL13656565

N=C(N)NCCC[C@@H]1NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)CSC[C@@H](C(=O)NCC(=O)NCCOCCOCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSG P08311 2/20 0.51
▸ PLAU P00749 2/20 0.49
▸ ITGB3 P05106 6/20 0.49
▸ ITGAV P06756 6/20 0.49
▸ ITGB1 P05556 2/20 0.49
▸ ITGA5 P08648 2/20 0.49
▸ MC4R P32245 7/20 0.48
▸ MC5R P33032 7/20 0.48
▸ MC3R P41968 7/20 0.48
▸ MC1R Q01726 7/20 0.48
▸ ITGB5 P18084 3/20 0.48
▸ SLC40A1 Q9NP59 2/20 0.47
▸ KLKB1 P03952 1/20 0.46

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
SCHEMBL12837665 1.00 CTSG (0.51) CTSGPLAUITGB3ITGAVITGB1
SCHEMBL11926071 0.94 CTSG (0.55) CTSGPLAUITGB3ITGAVITGB1
SCHEMBL14137295 0.92 CTSG (0.54) CTSGPLAUITGB3ITGAVITGB1
SCHEMBL13659869 0.92 CTSG (0.54) CTSGPLAUITGB3ITGAVITGB1
SCHEMBL22278847 0.92 ITGB3 (0.52) CTSGPLAUITGB3ITGAVITGB1
SCHEMBL13649571 0.92 CTSG (0.50) CTSGPLAUITGB3ITGAVITGB1
SCHEMBL22003475 0.91 ITGB3 (0.55) CTSGPLAUITGB3ITGAVITGB1
SCHEMBL10052602 0.91 ITGB3 (0.55) CTSGPLAUITGB3ITGAVITGB1
SCHEMBL16298655 0.91 ITGB3 (0.55) CTSGPLAUITGB3ITGAVITGB1
SCHEMBL9909400 0.91 ITGB3 (0.55) CTSGPLAUITGB3ITGAVITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404802-B2 a targeting vector which binds to receptors associated with integrin receptors, angiogenesis; contrast agents; diagnosis of malignant diseases, heart diseases, inflammation-related diseases, rheumatoid arthritis and Kaposi's sarcoma GE HEALTHCARE AS (NO) 2013-03-26 — — US disclosed
US-7608243-B2 RGD peptide sequence; labelled with fluorescein used as contrast agents in optical imaging in diagnosis of angiogenesis-related diseases; peptidic vector and the fluorescein dye are coupled; cyclic peptide forming disulife or monothioether bridge GE HEALTHCARE AS (NO) 2009-10-27 — — US disclosed
US-20070183977-A1 Fluorescein-labelled peptides AMERSHAM HEALTH AS (NO) 2007-08-09 — — US disclosed
US-20070116646-A1 Optical imaging of endometriosis KLAVENESS JO 2007-05-24 — — 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 (2 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-20070183977-A1 Fluorescein-labelled peptides FLT4, FLT1, KDR CTSG 619/4885PLAU 882/4885ITGB3 468/4885
US-20070116646-A1 Optical imaging of endometriosis LGALS3BP, SDF4, OGFRL1 CTSG 2403/4885PLAU 1255/4885ITGB3 599/4885

“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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