SCHEMBL5966596

SCHEMBL5966596

CN(C(=O)C(CCCN(C(=N)N)[N+](=O)[O-])NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.42
CTSS P25774 5/20 0.42
CTSK P43235 4/20 0.42
CTSL P07711 2/20 0.42
CTSB P07858 2/20 0.42
CCKBR P32239 3/20 0.41
PTPN1 P18031 1/20 0.38

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
SCHEMBL5966595 1.00 REN (0.42) RENCTSSCTSKCTSLCTSB
SCHEMBL5966560 0.87 REN (0.47) RENCTSSCTSKCTSLCTSB
SCHEMBL5966544 0.87 REN (0.49) RENCTSSCTSKCTSLCTSB
SCHEMBL5966478 0.85 CTSS (0.51) RENCTSSCTSKCTSLCTSB
SCHEMBL5966530 0.83 CTSS (0.51) RENCTSSCTSKCTSLCTSB
SCHEMBL5966532 0.83 CTSS (0.51) RENCTSSCTSKCTSLCTSB
SCHEMBL5966487 0.81 CTSS (0.51) RENCTSSCTSKCTSLCTSB
SCHEMBL5966490 0.81 CTSS (0.51) RENCTSSCTSKCTSLCTSB
SCHEMBL5966554 0.80 CTSS (0.51) RENCTSSCTSKCTSLCTSB
SCHEMBL5966556 0.80 CTSS (0.51) RENCTSSCTSKCTSLCTSB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128613-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2006-06-15 US disclosed
EP-1409540-A2 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2004-04-21 EP disclosed
WO-2002026774-A2 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2002-04-04 WO 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-20060128613-A1 Melanocortin receptor ligands MC3R, MC4R, MC1R REN 257/4885CTSS 2475/4885CTSK 3132/4885

“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.