SCHEMBL5097004

SCHEMBL5097004

CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@@H]1C(=O)N(CCOc2ccc(F)cc2)c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 18/20 0.56
PSEN2 P49810 18/20 0.56
APH1B Q8WW43 18/20 0.56
NCSTN Q92542 18/20 0.56
APH1A Q96BI3 18/20 0.56
PSENEN Q9NZ42 18/20 0.56
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.36
SPPL2A Q8TCT8 1/20 0.35

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
SCHEMBL5096901 0.88 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5106544 0.87 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5106589 0.86 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5093511 0.86 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5099834 0.85 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14139337 0.85 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4424778 0.83 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4436527 0.82 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4430365 0.82 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5096948 0.82 PSEN1 (0.54) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2018368-B1 MALONAMIDE DERIVATIVES AS GAMMA SECRETASE INHIBITORS HOFFMANN LA ROCHE (CH) 2012-12-05 EP disclosed
US-7425551-B2 Malonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-16 US disclosed
US-7425551-B2 Malonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-16 US disclosed
US-7425551-B2 Malonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-16 US disclosed
WO-2007110335-A1 MALONAMIDE DERIVATIVES AS GAMMA SECRETASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-04 WO disclosed
US-20070225273-A1 Malonamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 US disclosed
US-20070225273-A1 Malonamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 US disclosed
US-20070225273-A1 Malonamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 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-20070225273-A1 Malonamide derivatives ACE, APP, NAAA PSEN1 17/4885PSEN2 19/4885APH1B 47/4885

“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.