SCHEMBL6313008

SCHEMBL6313008

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)c1nccs1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.52
PSEN1 P49768 3/20 0.48
PSEN2 P49810 3/20 0.48
APH1B Q8WW43 3/20 0.48
NCSTN Q92542 3/20 0.48
APH1A Q96BI3 3/20 0.48
PSENEN Q9NZ42 3/20 0.48
APP P05067 1/20 0.48
BACE1 P56817 6/20 0.46
REN P00797 1/20 0.44
ATM Q13315 1/20 0.43
CTSS P25774 2/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 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
SCHEMBL6308523 1.00 KLK5 (0.52) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7277293 0.87 KLK5 (0.51) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7364763 0.87 KLK5 (0.51) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL9725769 0.87 KLK5 (0.51) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6356044 0.87 KLK5 (0.51) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6663844 0.84 KLK5 (0.41) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7492257 0.84 PSEN1 (0.57) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6305527 0.83 KLK5 (0.50) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6311500 0.83 KLK5 (0.50) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6312323 0.83 KLK5 (0.50) KLK5PSEN1PSEN2APH1BNCSTN

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-20050159460-A1 Peptide isosteres containing a heterocycle useful in the treatment of alzheimer's disease ELAN PHARMACEUTICALS 2005-07-21 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-20050159460-A1 Peptide isosteres containing a heterocycle useful in the treatment of alzheimer's disease BACE1, APP, BACE2 KLK5 1643/4885PSEN1 5/4885PSEN2 11/4885

“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.