SCHEMBL8320302

SCHEMBL8320302

C[C@H](NC(=O)[C@@H](O)C1CCCCC1)C(=O)Nc1cc(C(C)(C)c2ccccc2)nn1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 3/20 0.40
MAPK12 P53778 3/20 0.40
MAPK11 Q15759 3/20 0.40
MAPK14 Q16539 3/20 0.40
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
NTRK1 P04629 1/20 0.36
ATM Q13315 1/20 0.36
GAA P10253 2/20 0.36
CCR5 P51681 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TSHR P16473 1/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
CTSB P07858 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL2964681 1.00 MAPK13 (0.40) MAPK13MAPK12MAPK11MAPK14POLB
SCHEMBL8312822 0.85 PSEN1 (0.43) MAPK13MAPK12MAPK11MAPK14POLB
SCHEMBL2964836 0.85 PSEN1 (0.43) MAPK13MAPK12MAPK11MAPK14POLB
SCHEMBL2966941 0.84 MAPK14 (0.43) MAPK13MAPK12MAPK11MAPK14POLB
SCHEMBL8318525 0.84 MAPK14 (0.43) MAPK13MAPK12MAPK11MAPK14POLB
SCHEMBL4948937 0.81 PSMB5 (0.37) POLBPKMNTRK1KDM4E
SCHEMBL4948941 0.81 HPGD (0.36) MAPK13MAPK12MAPK11MAPK14POLB
SCHEMBL13041514 0.80 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14POLB
SCHEMBL2965613 0.80 MAPK14 (0.40) MAPK13MAPK12MAPK11MAPK14POLB
SCHEMBL8318851 0.80 MAPK14 (0.40) MAPK13MAPK12MAPK11MAPK14POLB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2511267-A1 3-((N-ACYLATED AMINOACYL)AMINO)PYRAZOLES AS INHIBITORS OF BETA-AMYLOID PEPTIDE PRODUCTION USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals Inc. (US) 2012-10-17 EP disclosed
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
WO-2005009344-A2 ACYLATED AMINO ACID AMIDYL PYRAZOLES AND RELATED COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 2005-02-03 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 (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 MAPK13 2162/4885MAPK12 2298/4885MAPK11 1685/4885
US-20070197624-A1 Acylated amino acid amidyl pyrazoles and related compounds APP, BACE1, APH1A MAPK13 2162/4885MAPK12 2298/4885MAPK11 1685/4885

“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.