SCHEMBL10033239

SCHEMBL10033239

CC(=O)C1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSCSC[C@H](NC(=O)[C@H](CCCCNC(C)C)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 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 9/20 0.55
▸ MC5R P33032 9/20 0.55
▸ MC3R P41968 9/20 0.55
▸ MC1R Q01726 9/20 0.55
▸ ITGB3 P05106 1/20 0.55
▸ ITGB1 P05556 1/20 0.55
▸ ITGAV P06756 1/20 0.55
▸ ITGA5 P08648 1/20 0.55
▸ ITGB5 P18084 1/20 0.55
▸ CTSG P08311 2/20 0.52
▸ TSLP Q969D9 7/20 0.51
▸ PLAU P00749 1/20 0.50

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
SCHEMBL10033240 0.89 MC4R (0.55) MC4RMC5RMC3RMC1RITGB3
SCHEMBL12307752 0.87 MC4R (0.53) MC4RMC5RMC3RMC1RITGB3
SCHEMBL14082355 0.86 MC4R (0.58) MC4RMC5RMC3RMC1RITGB3
SCHEMBL10327237 0.86 MC4R (0.57) MC4RMC5RMC3RMC1RITGB3
SCHEMBL13124502 0.85 TSLP (0.59) MC4RMC5RMC3RMC1RCTSG
SCHEMBL14210733 0.83 ITGB3 (0.56) MC4RMC5RMC3RMC1RITGB3
SCHEMBL12307274 0.83 MC4R (0.55) MC4RMC5RMC3RMC1RITGB3
SCHEMBL13486968 0.82 MC4R (0.57) MC4RMC5RMC3RMC1RITGB3
SCHEMBL9908255 0.82 MC4R (0.57) MC4RMC5RMC3RMC1RITGB3
SCHEMBL9290489 0.82 MC4R (0.47) 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 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 MC4R 214/4885MC5R 681/4885MC3R 442/4885

“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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