SCHEMBL6045012

SCHEMBL6045012

CC(C)[C@@H](Cc1cccc(OCO)c1)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C[C@@H](C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.44
BACE1 P56817 14/20 0.43
KLK5 Q9Y337 2/20 0.42
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
APP P05067 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41

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
SCHEMBL6044652 0.91 REN (0.55) RENBACE1KLK5CYSLTR2CYSLTR1
SCHEMBL6044435 0.87 KLK5 (0.45) BACE1KLK5APPPSEN1PSEN2
SCHEMBL14003962 0.82 REN (0.45) RENBACE1KLK5CYSLTR2CYSLTR1
SCHEMBL6044314 0.80 REN (0.57) RENKLK5
SCHEMBL8262529 0.80 REN (0.47) RENBACE1KLK5APPPSEN1
SCHEMBL6044566 0.80 REN (0.51) RENBACE1KLK5APPPSEN1
SCHEMBL6044281 0.80 REN (0.54) RENBACE1KLK5PSEN1PSEN2
SCHEMBL6044411 0.80 REN (0.54) RENBACE1KLK5PSEN1PSEN2
SCHEMBL6044691 0.79 ALOX15 (0.44) RENKLK5
SCHEMBL6045224 0.79 ALOX15 (0.44) RENKLK5

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-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides ELAN PHARMACEUTICALS, INC. 2006-07-13 US disclosed
US-5559111-A HYPOTENSIVE AGENTS; RENIN INHIBITORS; Aliskiren CIBA-GEIGY CORPORATION (US) 1996-09-24 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-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides BACE1, APP, PSEN1 REN 970/4885BACE1 1/4885KLK5 3987/4885

“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.