SCHEMBL5966490

SCHEMBL5966490

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(CCCN(C(=N)N)[N+](=O)[O-])C(=O)NCCc1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.51
CTSK P43235 3/20 0.51
CTSB P07858 2/20 0.51
CA2 P00918 1/20 0.47
PTPN1 P18031 2/20 0.44
CTSL P07711 1/20 0.44
CCKBR P32239 2/20 0.43
AKT1 P31749 1/20 0.43
CCKAR P32238 1/20 0.43
REN P00797 1/20 0.42
PSMB8 P28062 2/20 0.42
PSMB9 P28065 2/20 0.42
PSMB5 P28074 2/20 0.42
PSMB1 P20618 1/20 0.42

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
SCHEMBL5966487 1.00 CTSS (0.51) CTSSCTSKCTSBCA2PTPN1
SCHEMBL5966530 0.91 CTSS (0.51) CTSSCTSKCTSBPTPN1CTSL
SCHEMBL5966532 0.91 CTSS (0.51) CTSSCTSKCTSBPTPN1CTSL
SCHEMBL5966554 0.89 CTSS (0.51) CTSSCTSKCTSBPTPN1CTSL
SCHEMBL5966556 0.89 CTSS (0.51) CTSSCTSKCTSBPTPN1CTSL
SCHEMBL5966478 0.88 CTSS (0.51) CTSSCTSKCTSBCTSLCCKBR
SCHEMBL5966544 0.85 REN (0.49) CTSSCTSKCTSBCTSLCCKBR
SCHEMBL5966493 0.84 CTSS (0.52) CTSSCTSKCTSBCA2PTPN1
SCHEMBL5966560 0.84 REN (0.47) CTSSCTSKCTSBCTSLAKT1
SCHEMBL5966595 0.81 REN (0.42) CTSSCTSKCTSBPTPN1CTSL

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 3132/4885CTSB 2294/4885

“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.