SCHEMBL4423626

SCHEMBL4423626

O=C(O)CC(=O)NCCC(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.36
LDHA P00338 1/20 0.32
SRR Q9GZT4 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL5401604 0.82 ECE1 (0.31) ECE1ALDH1A1POLBSMN1; SMN2
SCHEMBL3907990 0.80 ALDH1A1 (0.34) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL1561959 0.78 LDHA (0.35) ECE1LDHASRRSMN1; SMN2
SCHEMBL5396143 0.77 ALDH1A1 (0.31) ALDH1A1
SCHEMBL25076167 0.74 KDM4E (0.46) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL12036660 0.74 LDHA (0.50) ECE1LDHASRRALDH1A1SMN1; SMN2
SCHEMBL4425505 0.71 POLB (0.36) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL4436509 0.71 POLB (0.36) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL4436504 0.71 POLB (0.36) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL4433155 0.69 TSHR (0.32) ECE1MEN1KMT2A

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 ECE1 73/4885LDHA 2834/4885SRR 41/4885

“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.