SCHEMBL4425484

SCHEMBL4425484

CC(F)(C(=O)O)C(=O)NCC(F)(F)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PDK1 Q15118 2/20 0.30
PDK2 Q15119 2/20 0.30
PDK3 Q15120 2/20 0.30
PDK4 Q16654 2/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL4427707 1.00 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1562565 0.84 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14403294 0.82 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1562887 0.82 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3939178 0.82 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18701686 0.81 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4436509 0.81 POLB (0.36) PGK1PGK2ALDH1A1POLBSMN1; SMN2
SCHEMBL4436504 0.81 POLB (0.36) PGK1PGK2ALDH1A1POLBSMN1; SMN2
SCHEMBL1561803 0.76 PSEN1 (0.30) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14094778 0.74 PSEN1 (0.39) 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.