SCHEMBL11926071

SCHEMBL11926071

N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)NCCOCCOCCN)CSCC(=O)N[C@@H](CC(=O)O)C(=O)N2

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSG P08311 2/20 0.55
▸ ITGB3 P05106 4/20 0.55
▸ ITGAV P06756 4/20 0.55
▸ PLAU P00749 2/20 0.52
▸ MC4R P32245 9/20 0.51
▸ MC5R P33032 9/20 0.51
▸ MC3R P41968 9/20 0.51
▸ MC1R Q01726 9/20 0.51
▸ KLKB1 P03952 1/20 0.50
▸ ITGB1 P05556 2/20 0.48
▸ ITGA5 P08648 2/20 0.48
▸ ITGB5 P18084 1/20 0.48
▸ GRB7 Q14451 1/20 0.48
▸ CACNA1B Q00975 1/20 0.47

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
SCHEMBL13659869 0.98 CTSG (0.54) CTSGITGB3ITGAVPLAUMC4R
SCHEMBL14195230 0.95 CTSG (0.56) CTSGITGB3ITGAVPLAUMC4R
SCHEMBL14096854 0.94 ITGB3 (0.54) CTSGITGB3ITGAVPLAUMC4R
SCHEMBL12837665 0.94 CTSG (0.51) CTSGITGB3ITGAVPLAUMC4R
SCHEMBL13656565 0.94 CTSG (0.51) CTSGITGB3ITGAVPLAUMC4R
SCHEMBL14096799 0.93 CTSG (0.57) CTSGITGB3ITGAVPLAUMC4R
SCHEMBL14096782 0.93 CTSG (0.57) CTSGITGB3ITGAVPLAUMC4R
SCHEMBL11929264 0.92 ITGB3 (0.52) CTSGITGB3ITGAVPLAUMC4R
SCHEMBL14096840 0.92 MC4R (0.51) CTSGITGB3ITGAVPLAUMC4R
SCHEMBL9908265 0.91 ITGB3 (0.63) CTSGITGB3ITGAVPLAUMC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236283-B2 Optical imaging GE HEALTHCARE AS (NO) 2012-08-07 — — US disclosed
US-7897142-B2 Cyclic nonapeptides coupled to a cyanine dye as an imaging contrast agent; monitoring angiogenesis inhibition GE HEALTHCARE AS (NO) 2011-03-01 — — 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-20090232741-A1 Optical Imaging GE HEALTHCARE AS (NO) 2009-09-17 — — US disclosed
US-20080095715-A1 Peptide Based-Compounds GE HEALTHCARE AS (NO) 2008-04-24 — — US disclosed
US-7351790-B2 Peptide-based compounds GE HEALTHCARE AS (NO) 2008-04-01 — — 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 (4 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 619/4885ITGB3 468/4885ITGAV 331/4885
US-20090232741-A1 Optical Imaging AGER, KDR, FLT4 CTSG 1455/4885ITGB3 78/4885ITGAV 49/4885
US-20080095715-A1 Peptide Based-Compounds TEK, FLT4, FLT1 CTSG 1014/4885ITGB3 1180/4885ITGAV 1179/4885
US-20070116646-A1 Optical imaging of endometriosis LGALS3BP, SDF4, OGFRL1 CTSG 2403/4885ITGB3 599/4885ITGAV 743/4885

“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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