SCHEMBL5966482

SCHEMBL5966482

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NC(CCCNC(N)=N[N+](=O)[O-])C(=O)NCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.51
CTSK P43235 4/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
PSMB8 P28062 2/20 0.51
PSMB9 P28065 2/20 0.51
PSMB5 P28074 2/20 0.51
AKT1 P31749 1/20 0.48
REN P00797 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
PTPN1 P18031 1/20 0.46
PSMB1 P20618 1/20 0.46
CCKBR P32239 1/20 0.45
NPY1R P25929 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
SCHEMBL5966558 0.93 CTSK (0.51) CTSSCTSKCTSLCTSBAKT1
SCHEMBL5966599 0.92 CTSS (0.50) CTSSCTSKCTSLCTSBPSMB8
SCHEMBL5966565 0.91 CTSS (0.49) CTSSCTSKCTSLCTSBAKT1
SCHEMBL8120447 0.87 CA2 (0.52) CTSSCTSKPSMB8PSMB9PSMB5
SCHEMBL8112857 0.87 CA2 (0.52) CTSSCTSKCA1CA2NPY1R
SCHEMBL5966493 0.87 CTSS (0.52) CTSSCTSKCTSLCTSBPSMB8
SCHEMBL14685023 0.87 CXCR3 (0.47) CTSSCTSKCTSLCTSBAKT1
SCHEMBL8120925 0.86 CA2 (0.51) CTSSCTSKCTSLPSMB8PSMB9
SCHEMBL5966537 0.86 CTSS (0.53) CTSSCTSKCTSLCTSBPSMB8
SCHEMBL8114815 0.86 CA2 (0.53) CTSSCTSKPSMB8PSMB9PSMB5

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-20060128613-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2006-06-15 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-20060128613-A1 Melanocortin receptor ligands MC3R, MC4R, MC1R CTSS 2475/4885CTSK 3132/4885CTSL 3363/4885

“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.