SCHEMBL10015501

SCHEMBL10015501

N=C(N)NCCC[C@@H]1CC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CC(=O)O)CC(=O)CNC1=O)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)CCCOCCOCCOCCCC(=O)COCC(=O)CCCOCCOCCOCCNC(=O)COCC(N)=O)CSCC(=O)N[C@@H](CCCCN)C(=O)N2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 4/20 0.47
▸ ITGAV P06756 4/20 0.47
▸ MC4R P32245 9/20 0.40
▸ MC5R P33032 9/20 0.40
▸ MC3R P41968 9/20 0.40
▸ MC1R Q01726 9/20 0.40
▸ ITGB1 P05556 2/20 0.39
▸ ITGA5 P08648 2/20 0.39
▸ ITGB5 P18084 1/20 0.39
▸ KEAP1 Q14145 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37
▸ KLKB1 P03952 1/20 0.37
▸ SSTR1 P30872 1/20 0.37
▸ SSTR2 P30874 1/20 0.37
▸ SSTR4 P31391 1/20 0.37
▸ SSTR3 P32745 1/20 0.37
▸ SSTR5 P35346 1/20 0.37
▸ CACNA1B Q00975 1/20 0.37
▸ TSLP Q969D9 2/20 0.36
▸ CTSG P08311 1/20 0.36

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
SCHEMBL13007906 0.93 ITGB3 (0.44) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL12918070 0.93 ITGB3 (0.47) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL10015499 0.91 ITGB3 (0.42) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL2600689 0.91 ITGB3 (0.47) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL12918063 0.91 ITGB3 (0.47) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL11988189 0.90 ITGB3 (0.46) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL11926079 0.89 ITGB3 (0.40) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL11988190 0.87 ITGB3 (0.46) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL13007908 0.86 ITGB3 (0.42) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL11988188 0.86 ITGB3 (0.44) ITGB3ITGAVMC4RMC5RMC3R

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-8299030-B2 Peptide-based compounds GE HEALTHCARE LIMITED (GB) 2012-10-30 — — US disclosed
US-20120020882-A1 PEPTIDE-BASED COMPOUNDS GE HEALTHCARE AS (NO) 2012-01-26 — — 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-20120020882-A1 PEPTIDE-BASED COMPOUNDS ITGB3, ITGAV, SELPLG ITGB3 1/4885ITGAV 2/4885MC4R 874/4885

“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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