SCHEMBL13041363

SCHEMBL13041363

C[C@H](NC(=O)[C@@H](O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(C(C)(C)c2cc(F)cc(F)c2)nn1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.35
PSEN2 P49810 7/20 0.35
APH1B Q8WW43 7/20 0.35
NCSTN Q92542 7/20 0.35
APH1A Q96BI3 7/20 0.35
PSENEN Q9NZ42 7/20 0.35
SPPL2A Q8TCT8 1/20 0.33
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
GAA P10253 1/20 0.32
MAPK14 Q16539 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
XBP1 P17861 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 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
SCHEMBL13469585 1.00 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2960637 1.00 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2966095 0.92 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8317823 0.92 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2956738 0.92 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8317763 0.92 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2965174 0.90 MAPK14 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2958960 0.89 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8320857 0.89 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13469584 0.89 PSEN1 (0.39) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280066-A1 ACYLATED AMINO ACID AMIDYL PYRAZOLES AND RELATED COMPOUNDS TUNG JAY S 2010-11-04 US disclosed
US-20100280066-A1 ACYLATED AMINO ACID AMIDYL PYRAZOLES AND RELATED COMPOUNDS TUNG JAY S 2010-11-04 US disclosed
US-7759382-B2 such as N-{5-[1-(4-chloro-phenyl)-1-methyl-ethyl]-2H-pyrazol-3-yl}-2-[2-(3,5-difluoro-phenyl)-2-hydroxy-acetylamino]-propionamide, used for inhibiting beta-amyloid peptide release and/or biosynthesis, inhibiting gamma-secretase activity, prevention and treatment of Alzheimer's disease ELAN PHARMACEUTICALS, INC. (US) 2010-07-20 US disclosed
US-7759382-B2 such as N-{5-[1-(4-chloro-phenyl)-1-methyl-ethyl]-2H-pyrazol-3-yl}-2-[2-(3,5-difluoro-phenyl)-2-hydroxy-acetylamino]-propionamide, used for inhibiting beta-amyloid peptide release and/or biosynthesis, inhibiting gamma-secretase activity, prevention and treatment of Alzheimer's disease ELAN PHARMACEUTICALS, INC. (US) 2010-07-20 US disclosed
US-20070197624-A1 Acylated amino acid amidyl pyrazoles and related compounds ELAN PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-20070197624-A1 Acylated amino acid amidyl pyrazoles and related compounds ELAN PHARMACEUTICALS, INC. (US) 2007-08-23 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 (2 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-20100280066-A1 ACYLATED AMINO ACID AMIDYL PYRAZOLES AND RELATED COMPOUNDS APP, BACE1, APH1A PSEN1 7/4885PSEN2 13/4885APH1B 4/4885
US-20070197624-A1 Acylated amino acid amidyl pyrazoles and related compounds APP, BACE1, APH1A PSEN1 7/4885PSEN2 13/4885APH1B 4/4885

“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.