SCHEMBL10033238

SCHEMBL10033238

CNC(=O)C1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC(NC(=O)[C@H](CCCCN)NC(=O)CS1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N2

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.54
▸ ITGB1 P05556 1/20 0.54
▸ ITGAV P06756 1/20 0.54
▸ ITGA5 P08648 1/20 0.54
▸ ITGB5 P18084 1/20 0.54
▸ MC4R P32245 11/20 0.53
▸ MC5R P33032 11/20 0.53
▸ MC3R P41968 11/20 0.53
▸ MC1R Q01726 10/20 0.53
▸ CACNA1B Q00975 1/20 0.50
▸ CTSG P08311 2/20 0.48
▸ PLAU P00749 1/20 0.47
▸ KLKB1 P03952 1/20 0.47
▸ TSLP Q969D9 3/20 0.45

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
SCHEMBL15247341 0.94 ITGB3 (0.51) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL14210733 0.89 ITGB3 (0.56) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL13532020 0.86 ITGB3 (0.53) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL10033240 0.85 MC4R (0.55) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL15188725 0.84 ITGB3 (0.59) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL12307274 0.84 MC4R (0.55) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL13658001 0.83 ITGB3 (0.60) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL12353630 0.83 CACNA1B (0.59) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL15247340 0.82 ITGB3 (0.52) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL12307752 0.82 MC4R (0.53) ITGB3ITGB1ITGAVITGA5ITGB5

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-20120022227-A1 RADIOLABELLING REAGENTS AND METHODS GE HEALTHCARE LIMITED (GB) 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-20120022227-A1 RADIOLABELLING REAGENTS AND METHODS ANPEP, DNPEP, QRFPR ITGB3 1205/4885ITGB1 2120/4885ITGAV 1529/4885

“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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