SCHEMBL4436253

SCHEMBL4436253

CN1C(=O)[C@@H](CNC(=O)CC(=O)NCC(F)(F)C(F)(F)F)CN(S(C)(=O)=O)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.41
PSEN2 P49810 4/20 0.41
APH1B Q8WW43 4/20 0.41
NCSTN Q92542 4/20 0.41
APH1A Q96BI3 4/20 0.41
PSENEN Q9NZ42 4/20 0.41
MTNR1A P48039 2/20 0.32
MTNR1B P49286 1/20 0.32
XIAP P98170 1/20 0.32
EGFR P00533 1/20 0.31
NR1I2 O75469 4/20 0.31
RORC P51449 4/20 0.31
NR1H3 Q13133 4/20 0.31
NR1H2 P55055 1/20 0.31
KCNH2 Q12809 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
SCHEMBL4427742 0.88 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4423353 0.84 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4435886 0.83 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4434121 0.83 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4430201 0.83 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4428261 0.81 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4436256 0.77 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4425870 0.76 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4425981 0.74 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4427955 0.73 PSEN1 (0.35) 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.