SCHEMBL4436504

SCHEMBL4436504

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX1 P07099 1/20 0.34
CA3 P07451 2/20 0.32
CA5A P35218 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
MLYCD O95822 2/20 0.32
KDM4C Q9H3R0 1/20 0.31
PGK1 P00558 1/20 0.30
PGK2 P07205 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
SCHEMBL4436509 1.00 POLB (0.36) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4425505 0.85 POLB (0.36) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4425484 0.81 PSEN1 (0.34) POLBALDH1A1SMN1; SMN2CA2PGK1
SCHEMBL4427707 0.81 PSEN1 (0.34) POLBALDH1A1SMN1; SMN2CA2PGK1
SCHEMBL5396140 0.76 ALDH1A1 (0.35) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3907990 0.76 ALDH1A1 (0.34) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL25076167 0.74 KDM4E (0.46) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4423626 0.71 ECE1 (0.36) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4423297 0.69 TSHR (0.32) MEN1KMT2A
SCHEMBL4433155 0.69 TSHR (0.32) MEN1KMT2A

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 POLB 1941/4885ALDH1A1 724/4885SMN1; SMN2 1961/4885

“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.