SCHEMBL13659874

SCHEMBL13659874

CCCOCCNC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CCCCN)NC(=O)CSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 11/20 0.56
▸ MC5R P33032 11/20 0.56
▸ MC3R P41968 11/20 0.56
▸ MC1R Q01726 11/20 0.56
▸ ITGB3 P05106 3/20 0.54
▸ ITGAV P06756 3/20 0.54
▸ ITGB1 P05556 1/20 0.54
▸ ITGA5 P08648 1/20 0.54
▸ ITGB5 P18084 1/20 0.54
▸ CTSG P08311 2/20 0.53
▸ CACNA1B Q00975 1/20 0.52
▸ PLAU P00749 1/20 0.52
▸ KLKB1 P03952 1/20 0.51
▸ TSLP Q969D9 1/20 0.49

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
SCHEMBL13870335 0.98 MC4R (0.55) MC4RMC5RMC3RMC1RITGB3
SCHEMBL13649565 0.94 MC4R (0.55) MC4RMC5RMC3RMC1RITGB3
SCHEMBL13531891 0.93 ITGB3 (0.55) MC4RMC5RMC3RMC1RITGB3
SCHEMBL12353635 0.93 ITGB3 (0.57) MC4RMC5RMC3RMC1RITGB3
SCHEMBL16349774 0.92 MC4R (0.51) MC4RMC5RMC3RMC1RITGB3
SCHEMBL13014693 0.92 CTSG (0.55) MC4RMC5RMC3RMC1RITGB3
SCHEMBL13870347 0.92 ITGB3 (0.63) MC4RMC5RMC3RMC1RITGB3
SCHEMBL9908265 0.92 ITGB3 (0.63) MC4RMC5RMC3RMC1RITGB3
SCHEMBL13870357 0.92 ITGB3 (0.63) MC4RMC5RMC3RMC1RITGB3
SCHEMBL13014846 0.91 ITGB3 (0.58) MC4RMC5RMC3RMC1RITGB3

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 MC4R 874/4885MC5R 2073/4885MC3R 758/4885

“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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