SCHEMBL2956970

SCHEMBL2956970

CC(NC(=O)C(O)c1cc(F)cc(F)c1)C(=O)Nc1cc(C(C)Cc2cccc(F)c2)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 8/20 0.40
PSEN2 P49810 8/20 0.40
APH1B Q8WW43 8/20 0.40
NCSTN Q92542 8/20 0.40
APH1A Q96BI3 8/20 0.40
PSENEN Q9NZ42 8/20 0.40
SPPL2A Q8TCT8 1/20 0.37
MMP2 P08253 3/20 0.36
MMP8 P22894 3/20 0.36
MMP1 P03956 2/20 0.36
MMP9 P14780 2/20 0.36
ROCK2 O75116 1/20 0.35
ANPEP P15144 1/20 0.35
RAB9A P51151 1/20 0.35
MAPK1 P28482 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
PIN1 Q13526 1/20 0.34
EIF2S1 P05198 1/20 0.34

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
SCHEMBL4945243 0.93 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4947199 0.91 MMP1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4942350 0.84 MMP2 (0.42) MMP2MMP8MMP1MMP9ANPEP
SCHEMBL2965388 0.81 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8322384 0.81 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8322329 0.81 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4939631 0.80 MMP2 (0.46) MMP2MMP8MMP1MMP9ANPEP
SCHEMBL8313476 0.80 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8320833 0.80 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4948485 0.79 PSEN1 (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-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.