SCHEMBL13659873

SCHEMBL13659873

CCOCCNC(=O)[C@H](CSC(C)(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CSCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 8/20 0.45
▸ ITGB3 P05106 1/20 0.43
▸ ITGB1 P05556 1/20 0.43
▸ ITGAV P06756 1/20 0.43
▸ ITGA5 P08648 1/20 0.43
▸ ITGB5 P18084 1/20 0.43
▸ CTSG P08311 1/20 0.42
▸ PLAU P00749 1/20 0.41
▸ F11 P03951 1/20 0.41
▸ MC4R P32245 4/20 0.41
▸ MC5R P33032 4/20 0.41
▸ MC3R P41968 4/20 0.41
▸ MC1R Q01726 4/20 0.41
▸ KLKB1 P03952 1/20 0.41
▸ ALB P02768 1/20 0.40
▸ KLK7 P49862 1/20 0.40
▸ BCL2L1 Q07817 1/20 0.40
▸ BAD Q92934 1/20 0.40

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
SCHEMBL13662772 0.93 ITGB3 (0.41) IL23RITGB3ITGB1ITGAVITGA5
SCHEMBL13659868 0.92 IL23R (0.48) IL23RITGB3ITGAVCTSGPLAU
SCHEMBL13649562 0.89 MC4R (0.49) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL13870331 0.85 MC4R (0.48) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL12353633 0.85 MC4R (0.49) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL12353627 0.82 ITGB3 (0.52) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL23057633 0.82 ITGB3 (0.53) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL13870342 0.82 ITGB3 (0.53) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL13870353 0.82 ITGB3 (0.53) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL13287934 0.82 IL23R (0.52) IL23RBCL2L1BAD

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-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 IL23R 973/4885ITGB3 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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