SCHEMBL12647201

SCHEMBL12647201

COCCOCCNC(=O)[C@@H]1CSCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 2/20 0.49
▸ MC5R P33032 2/20 0.49
▸ MC3R P41968 2/20 0.49
▸ MC1R Q01726 2/20 0.49
▸ ITGB3 P05106 2/20 0.48
▸ ITGB1 P05556 2/20 0.48
▸ ITGAV P06756 2/20 0.48
▸ ITGA5 P08648 2/20 0.48
▸ ITGB5 P18084 1/20 0.48
▸ CTSG P08311 2/20 0.47
▸ TSLP Q969D9 10/20 0.47
▸ SLC40A1 Q9NP59 1/20 0.46
▸ KLKB1 P03952 1/20 0.46
▸ PLAU P00749 1/20 0.45
▸ CACNA1B Q00975 1/20 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
SCHEMBL15335358 0.93 CTSG (0.50) MC4RMC5RMC3RMC1RITGB3
SCHEMBL13062248 0.93 TSLP (0.49) MC4RMC5RMC3RMC1RITGB3
SCHEMBL14845481 0.90 CTSG (0.51) MC4RMC5RMC3RMC1RITGB3
SCHEMBL12647203 0.89 ITGB3 (0.47) MC4RMC5RMC3RMC1RITGB3
SCHEMBL16349774 0.88 MC4R (0.51) MC4RMC5RMC3RMC1RITGB3
SCHEMBL11933454 0.88 ITGB3 (0.51) MC4RMC5RMC3RMC1RITGB3
SCHEMBL13656508 0.88 MC4R (0.51) MC4RMC5RMC3RMC1RITGB3
SCHEMBL13531891 0.87 ITGB3 (0.55) MC4RMC5RMC3RMC1RITGB3
SCHEMBL11933451 0.87 ITGB3 (0.57) MC4RMC5RMC3RMC1RITGB3
SCHEMBL12361592 0.87 MC4R (0.51) 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-20110117016-A1 DIAGNOSTIC COMPOUNDS SOLBAKKEN MAGNE 2011-05-19 — — 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-20110117016-A1 DIAGNOSTIC COMPOUNDS CA13, SLCO1B3, KLK3 MC4R 1747/4885MC5R 1385/4885MC3R 517/4885

“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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