SCHEMBL5494415

SCHEMBL5494415

CC(C)C[C@H](NCc1cc(F)cc(F)c1)[C@@H](O)CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.38
▸ CTSD P07339 4/20 0.35
▸ BACE1 P56817 2/20 0.35
▸ ANPEP P15144 1/20 0.34
▸ REN P00797 4/20 0.34
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ PSMB5 P28074 2/20 0.33
▸ EEF2K O00418 1/20 0.33

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
SCHEMBL31003034 0.82 PSMB5 (0.48) BACE1ANPEPRENPSMB5
SCHEMBL5500141 0.77 EPHX1 (0.47) BACE1
SCHEMBL30442889 0.74 CACNA2D1 (0.44) CTSD
SCHEMBL31692789 0.73 CACNA2D1 (0.40) CTSD
SCHEMBL29885722 0.72 CACNA2D1 (0.42) CTSD
SCHEMBL609044 0.71 KDM4E (0.36) HPGDBACE1ANPEPRENPSMB5
SCHEMBL27773780 0.71 KDM4E (0.36) HPGDBACE1ANPEPRENPSMB5
SCHEMBL30395496 0.71 CACNA2D1 (0.41) CTSDPSMB5
SCHEMBL13995948 0.71 ALDH1A1 (0.53) HPGDANPEP
SCHEMBL13995890 0.71 ALDH1A1 (0.53) HPGDANPEP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276484-B2 Dipeptide inhibitors of β-secretase ELAN PHARMACEUTICALS, INC. (US) 2007-10-02 — — US disclosed
US-20050182138-A1 Dipeptide inhibitors of beta-secretase ELAN PHARMACEUTICALS, INC. 2005-08-18 — — US disclosed
US-6864240-B1 Dipeptide inhibitors of β-secretase ELAN PHARMACEUTICALS, INC. (US) 2005-03-08 — — 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-20050182138-A1 Dipeptide inhibitors of beta-secretase BACE1, APP, BACE2 HPGD 3102/4885CTSD 92/4885BACE1 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.

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