SCHEMBL6397012

SCHEMBL6397012

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(Cc1ccccc1)c1ncc(CCCO)s1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.47
PSEN1 P49768 3/20 0.44
PSEN2 P49810 3/20 0.44
APH1B Q8WW43 3/20 0.44
NCSTN Q92542 3/20 0.44
APH1A Q96BI3 3/20 0.44
PSENEN Q9NZ42 3/20 0.44
APP P05067 1/20 0.44
REN P00797 3/20 0.42
PTPRB P23467 1/20 0.41
BACE1 P56817 3/20 0.40
ATM Q13315 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
SCHEMBL6308235 1.00 KLK5 (0.47) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6308157 0.93 KLK5 (0.47) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6304827 0.93 KLK5 (0.47) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6311500 0.92 KLK5 (0.50) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6312323 0.92 KLK5 (0.50) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6312890 0.92 KLK5 (0.47) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6670426 0.91 KLK5 (0.48) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6307411 0.91 KLK5 (0.48) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6309151 0.91 KLK5 (0.48) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6397063 0.91 KLK5 (0.48) 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 4 patents. 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 claimed
US-20050159460-A1 Peptide isosteres containing a heterocycle useful in the treatment of alzheimer's disease ELAN PHARMACEUTICALS 2005-07-21 US disclosed
EP-0603309-A1 PEPTIDE ISOTERS CONTAINING A HETEROCYCLE AS H.I.V. INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-06-29 EP disclosed
WO-1993005026-A1 PEPTIDE ISOTERS CONTAINING A HETEROCYCLE AS H.I.V. INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-03-18 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-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.