SCHEMBL4436497

SCHEMBL4436497

C[C@@](F)(C(=O)O)C(=O)N[C@@H]1C(=O)N(CC2CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.46
PSEN2 P49810 12/20 0.46
APH1B Q8WW43 12/20 0.46
NCSTN Q92542 12/20 0.46
APH1A Q96BI3 12/20 0.46
PSENEN Q9NZ42 12/20 0.46
SCN9A Q15858 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TRPA1 O75762 2/20 0.39
KDM4E B2RXH2 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
SCHEMBL4427160 0.88 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4425651 0.87 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4426263 0.86 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5096918 0.83 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5093416 0.83 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4425655 0.83 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4425895 0.82 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4430078 0.82 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5093411 0.80 ALDH1A1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5106046 0.80 ALDH1A1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1711470-B1 MALONAMIDE DERIVATIVES BLOCKING THE ACTIVTIY OF GAMMA-SECRETASE HOFFMANN LA ROCHE (CH) 2009-04-15 EP disclosed
US-7160875-B2 Malonamide derivatives HOFFMANN-LA RACHE INC. (US) 2007-01-09 US disclosed
EP-1711470-A1 MALONAMIDE DERIVATIVES BLOCKING THE ACTIVTIY OF GAMMA-SECRETASE F. HOFFMANN-LA ROCHE AG (CH) 2006-10-18 EP disclosed
WO-2005023772-A1 MALONAMIDE DERIVATIVES BLOCKING THE ACTIVITY OF GAMA-SECRETASE F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO disclosed
US-20050054633-A1 secretase inhibitors; therapy for Alzheimer's disease HOFFMANN-LA ROCHE INC. 2005-03-10 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-20050054633-A1 secretase inhibitors; therapy for Alzheimer's disease BACE1, BACE2, APP PSEN1 6/4885PSEN2 8/4885APH1B 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.