SCHEMBL8317885

SCHEMBL8317885

C[C@H](NC(=O)[C@@H](O)c1ccccc1)C(=O)Nc1cc(C(C)(C)c2ccccc2)n[nH]1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
MAPK1 P28482 13/20 0.36
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
S1PR1 P21453 1/20 0.35
CCNA2 P20248 3/20 0.34
CDK2 P24941 3/20 0.34
CCNA1 P78396 3/20 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
SCHEMBL2956506 1.00 KEAP1 (0.37) KEAP1NFE2L2MAPK1MMP9MMP8
SCHEMBL8317260 0.94 MMP1 (0.36) KEAP1NFE2L2MAPK1MMP9MMP8
SCHEMBL2954827 0.94 MMP1 (0.36) KEAP1NFE2L2MAPK1MMP9MMP8
SCHEMBL2965314 0.91 PSEN1 (0.41) MAPK1MMP9MMP8MMP1MMP2
SCHEMBL8313615 0.91 PSEN1 (0.41) MAPK1MMP9MMP8MMP1MMP2
SCHEMBL2961297 0.91 PSEN1 (0.38) KEAP1NFE2L2MAPK1MMP9MMP8
SCHEMBL8313035 0.91 PSEN1 (0.38) KEAP1NFE2L2MAPK1MMP9MMP8
SCHEMBL2961478 0.91 PSEN1 (0.41) MAPK1MMP9MMP8MMP1MMP2
SCHEMBL8312713 0.88 MMP1 (0.35) MAPK1MMP9MMP8MMP1MMP2
SCHEMBL5489292 0.88 MMP1 (0.35) MAPK1MMP9MMP8MMP1MMP2

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 KEAP1 2435/4885NFE2L2 4159/4885MAPK1 1262/4885
US-20070197624-A1 Acylated amino acid amidyl pyrazoles and related compounds APP, BACE1, APH1A KEAP1 2435/4885NFE2L2 4159/4885MAPK1 1262/4885

“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.