SCHEMBL5099889

SCHEMBL5099889

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 16/20 0.55
PSEN2 P49810 16/20 0.55
APH1B Q8WW43 16/20 0.55
NCSTN Q92542 16/20 0.55
APH1A Q96BI3 16/20 0.55
PSENEN Q9NZ42 16/20 0.55
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL5100194 1.00 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5093453 0.93 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5099815 0.93 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5100017 0.93 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5100160 0.91 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5093479 0.91 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5106086 0.91 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4423705 0.88 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5099971 0.88 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5100036 0.88 PSEN1 (0.49) 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 11 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 claimed
US-7425551-B2 Malonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-16 US claimed
US-20070225273-A1 Malonamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 US claimed
EP-2018368-B1 MALONAMIDE DERIVATIVES AS GAMMA SECRETASE INHIBITORS HOFFMANN LA ROCHE (CH) 2012-12-05 EP disclosed
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
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.