SCHEMBL5620577

SCHEMBL5620577

C[C@H](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCCC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.55
KLK5 Q9Y337 2/20 0.54
APP P05067 1/20 0.54
PSEN1 P49768 1/20 0.54
PSEN2 P49810 1/20 0.54
APH1B Q8WW43 1/20 0.54
NCSTN Q92542 1/20 0.54
APH1A Q96BI3 1/20 0.54
PSENEN Q9NZ42 1/20 0.54
REN P00797 3/20 0.53

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
SCHEMBL5620574 1.00 BACE1 (0.55) BACE1KLK5APPPSEN1PSEN2
SCHEMBL5619596 0.85 KLK5 (0.62) BACE1KLK5APPPSEN1PSEN2
SCHEMBL9394616 0.85 KLK5 (0.62) BACE1KLK5APPPSEN1PSEN2
SCHEMBL7392856 0.83 KLK5 (0.67) BACE1KLK5APPPSEN1PSEN2
SCHEMBL7398181 0.82 BACE1 (0.65) BACE1KLK5
SCHEMBL5395801 0.82 KLK5 (0.58) BACE1KLK5APPPSEN1PSEN2
SCHEMBL5395803 0.82 KLK5 (0.58) BACE1KLK5APPPSEN1PSEN2
SCHEMBL4043497 0.82 REN (0.65) REN
SCHEMBL3361485 0.81 KLK5 (0.63) BACE1KLK5APPPSEN1PSEN2
SCHEMBL6358023 0.81 KLK5 (0.55) KLK5APPPSEN1PSEN2APH1B

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-7160905-B2 Hydroxyethylene compounds with Asp2 inhibitory activity SMITHKLINE BEECHAM P.L.C. (GB) 2007-01-09 US disclosed
US-6992103-B2 Benzamide derivatives, processes for their preparation, and their pharmaceutical use SMITHKLINE BEECHAM P.L.C. (GB) 2006-01-31 US disclosed
US-20050085520-A1 Benzamide derivatives, processes for their preparation, and their pharmaceutical use SMITHKLINE BEECHAM P.L.C. (GB) 2005-04-21 US disclosed
US-20050038028-A1 Hydroxyethylene compounds with asp2 inhibitory activity SMITHKLINE BEECHAM P.L.C. (GB) 2005-02-17 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 (2 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-20050085520-A1 Benzamide derivatives, processes for their preparation, and their pharmaceutical use BACE2, PSEN2, BACE1 BACE1 3/4885KLK5 3297/4885APP 5/4885
US-20050038028-A1 Hydroxyethylene compounds with asp2 inhibitory activity BACE2, BACE1, PSEN2 BACE1 2/4885KLK5 4341/4885APP 5/4885

“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.