SCHEMBL5016375

SCHEMBL5016375

CCOC(=O)C(C)C(=O)NCc1cc(F)cc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.43
PSEN2 P49810 5/20 0.43
APH1B Q8WW43 5/20 0.43
NCSTN Q92542 5/20 0.43
APH1A Q96BI3 5/20 0.43
PSENEN Q9NZ42 5/20 0.43
EPHX2 P34913 1/20 0.41
PPARG P37231 1/20 0.41
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CASP1 P29466 1/20 0.39
PDE10A Q9Y233 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
S1PR3 Q99500 1/20 0.38
METAP2 P50579 1/20 0.37

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
SCHEMBL1562512 0.81 KMT2A (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1379640 0.80 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8310339 0.79 ERCC1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29176963 0.79 MAOB (0.41) EPHX2PPARGTSHRPDE10A
SCHEMBL2123541 0.79 MAPT (0.42) GAAKMT2ATSHRALDH1A1
Hydrochloric Acid SCHEMBL5967221 0.75 CARM1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18251695 0.74 ERCC1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5017863 0.74 PDE10A (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5017857 0.73 MAPK1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5023271 0.72 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-1592684-B1 MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-07-30 EP disclosed
US-7375099-B2 secretase inhibitors; therapy for Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2008-05-20 US disclosed
EP-1592684-A1 MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-09 EP disclosed
US-20040220222-A1 Malonamide derivatives F. HOFFMAN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-11-04 US disclosed
WO-2004069826-A1 MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 WO 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-20040220222-A1 Malonamide derivatives BACE1, BACE2, APP PSEN1 4/4885PSEN2 8/4885APH1B 17/4885

“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.