SCHEMBL8225161

SCHEMBL8225161

CC(C)CC(NC(=O)C(CC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C1CCN2CC(NC(=O)C(C)C(C)O)C(=O)N12)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 3/20 0.44
RAMP1 O60894 1/20 0.41
BACE1 P56817 5/20 0.41
BACE2 Q9Y5Z0 2/20 0.41
KEAP1 Q14145 3/20 0.41
PSMB9 P28065 1/20 0.40
PSMB5 P28074 1/20 0.39
PTPN1 P18031 1/20 0.39
REN P00797 1/20 0.39

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
SCHEMBL8225101 0.79 NTSR2 (0.56)
SCHEMBL8225148 0.78 NTSR2 (0.53) BACE1
SCHEMBL8419008 0.78 CALCRL (0.41) CALCRLRAMP1BACE1BACE2KEAP1
SCHEMBL8418325 0.77 NTSR2 (0.55) BACE1
SCHEMBL8414624 0.75 NTSR2 (0.51) BACE1
SCHEMBL29680185 0.71 CALCRL (0.55) CALCRLRAMP1REN
SCHEMBL30799423 0.70 BACE1 (0.61) BACE1BACE2PTPN1
SCHEMBL30799637 0.70 BACE1 (0.64) BACE1BACE2PTPN1
SCHEMBL30799786 0.69 BACE1 (0.60) BACE1BACE2PTPN1
SCHEMBL30799682 0.69 BACE1 (0.58) BACE1BACE2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511039-B2 β-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins MYRIAD GENETICS, INC. (US) 2009-03-31 US disclosed
US-20060276408-A1 Beta-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins MYRIAD GENETICS, INCORPORATED (US) 2006-12-07 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-20060276408-A1 Beta-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins SERPINB1, SERPINE1, SERPINA2 CALCRL 651/4885RAMP1 1186/4885BACE1 15/4885

“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.