SCHEMBL4423353

SCHEMBL4423353

CC(=O)N1C[C@H](CNC(=O)CC(=O)NCC(F)(F)C(F)(F)F)C(=O)N(C)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.42
PSEN2 P49810 4/20 0.42
APH1B Q8WW43 4/20 0.42
NCSTN Q92542 4/20 0.42
APH1A Q96BI3 4/20 0.42
PSENEN Q9NZ42 4/20 0.42
BRD4 O60885 1/20 0.35
NOTUM Q6P988 2/20 0.34
MTNR1A P48039 3/20 0.33
MTNR1B P49286 2/20 0.33
POLB P06746 1/20 0.33
EGFR P00533 1/20 0.32
XIAP P98170 2/20 0.31
GAA P10253 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL4435886 0.91 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4430201 0.90 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4428261 0.89 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4427955 0.88 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4422484 0.87 CYP2D6 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4424714 0.87 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4423307 0.86 BRD4 (0.43) BRD4MTNR1AMTNR1BPOLBXIAP
SCHEMBL4434121 0.85 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4436253 0.84 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4430073 0.82 PSEN1 (0.42) 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.