SCHEMBL5619490

SCHEMBL5619490

C[C@H](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(N2CCCC2=O)cc(S(C)(=O)=O)c1)C(=O)NC1CC2CCC1C2

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSD P07339 20/20 0.54
BACE1 P56817 20/20 0.54
BACE2 Q9Y5Z0 20/20 0.54

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
SCHEMBL5619483 1.00 CTSD (0.54) CTSDBACE1BACE2
SCHEMBL8367166 1.00 CTSD (0.54) CTSDBACE1BACE2
SCHEMBL5856491 0.93 CTSD (0.61) CTSDBACE1BACE2
SCHEMBL5856498 0.93 CTSD (0.61) CTSDBACE1BACE2
SCHEMBL5853084 0.89 CTSD (0.66) CTSDBACE1BACE2
SCHEMBL5853073 0.89 CTSD (0.66) CTSDBACE1BACE2
SCHEMBL5853570 0.88 CTSD (0.57) CTSDBACE1BACE2
SCHEMBL5855662 0.88 CTSD (0.59) CTSDBACE1BACE2
SCHEMBL5855656 0.88 CTSD (0.59) CTSDBACE1BACE2
SCHEMBL5853197 0.87 CTSD (0.63) CTSDBACE1BACE2

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 claimed
US-20050038028-A1 Hydroxyethylene compounds with asp2 inhibitory activity SMITHKLINE BEECHAM P.L.C. (GB) 2005-02-17 US claimed
US-7160905-B2 Hydroxyethylene compounds with Asp2 inhibitory activity SMITHKLINE BEECHAM P.L.C. (GB) 2007-01-09 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 (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-20050038028-A1 Hydroxyethylene compounds with asp2 inhibitory activity BACE2, BACE1, PSEN2 CTSD 607/4885BACE1 2/4885BACE2 1/4885

“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.