SCHEMBL13041533

SCHEMBL13041533

COC(=O)C(NC(=O)Cc1cc(F)cc(F)c1)OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PSEN1 P49768 13/20 0.41
PSEN2 P49810 13/20 0.41
APH1B Q8WW43 13/20 0.41
NCSTN Q92542 13/20 0.41
APH1A Q96BI3 13/20 0.41
PSENEN Q9NZ42 13/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.40
MAPK8 P45983 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL2968166 0.88 SMYD3 (0.43) SMYD3MEN1KMT2APSEN1PSEN2
SCHEMBL3343337 0.83 TSHR (0.50) SMYD3MEN1KMT2APSEN1PSEN2
SCHEMBL4111216 0.83 TSHR (0.50) SMYD3MEN1KMT2APSEN1PSEN2
SCHEMBL3343332 0.82 PSEN1 (0.43) SMYD3MEN1KMT2APSEN1PSEN2
SCHEMBL3343249 0.81 MEN1 (0.52) SMYD3MEN1KMT2APSEN1PSEN2
SCHEMBL3341048 0.79 TAS1R3 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5641159 0.79 PSEN1 (0.42) SMYD3MEN1KMT2APSEN1PSEN2
SCHEMBL3341044 0.79 TAS1R3 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6253648 0.79 TAS1R3 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5042243 0.79 PSEN1 (0.55) 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 SMYD3 3011/4885MEN1 1800/4885KMT2A 3154/4885
US-20070197624-A1 Acylated amino acid amidyl pyrazoles and related compounds APP, BACE1, APH1A SMYD3 3011/4885MEN1 1800/4885KMT2A 3154/4885

“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.