SCHEMBL13659869

SCHEMBL13659869

N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2CSSC[C@@H](C(=O)NCC(=O)NCCOCCOCCN)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CSCC(=O)N[C@@H](CC(=O)O)C(=O)N2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSG P08311 2/20 0.54
▸ ITGB3 P05106 4/20 0.54
▸ ITGAV P06756 4/20 0.54
▸ PLAU P00749 2/20 0.52
▸ MC4R P32245 9/20 0.52
▸ MC5R P33032 9/20 0.52
▸ MC3R P41968 9/20 0.52
▸ MC1R Q01726 9/20 0.52
▸ KLKB1 P03952 2/20 0.49
▸ ITGB1 P05556 2/20 0.49
▸ ITGA5 P08648 2/20 0.49
▸ ITGB5 P18084 1/20 0.49
▸ 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
SCHEMBL11926071 0.98 CTSG (0.55) CTSGITGB3ITGAVPLAUMC4R
SCHEMBL14195230 0.93 CTSG (0.56) CTSGITGB3ITGAVPLAUMC4R
SCHEMBL14096854 0.93 ITGB3 (0.54) CTSGITGB3ITGAVPLAUMC4R
SCHEMBL12837665 0.92 CTSG (0.51) CTSGITGB3ITGAVPLAUMC4R
SCHEMBL13656565 0.92 CTSG (0.51) CTSGITGB3ITGAVPLAUMC4R
SCHEMBL11929264 0.92 ITGB3 (0.52) CTSGITGB3ITGAVPLAUMC4R
SCHEMBL14096840 0.91 MC4R (0.51) CTSGITGB3ITGAVPLAUMC4R
SCHEMBL14096782 0.91 CTSG (0.57) CTSGITGB3ITGAVPLAUMC4R
SCHEMBL14096799 0.91 CTSG (0.57) CTSGITGB3ITGAVPLAUMC4R
SCHEMBL13659870 0.90 CTSG (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8361443-B2 Peptide-based compounds GE HEALTHCARE AS (NO) 2013-01-29 — — US disclosed
US-20090263320-A1 Peptide-Based Compounds GE HEALTHCARE AS (NO) 2009-10-22 — — 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-20090263320-A1 Peptide-Based Compounds ITGB3, ITGAV, SELPLG CTSG 920/4885ITGB3 1/4885ITGAV 2/4885

“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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