SCHEMBL13041332

SCHEMBL13041332

CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)Nc1cc(C(C)(C)Cc2ccccc2)n[nH]1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.39
MMP8 P22894 8/20 0.37
MMP1 P03956 7/20 0.37
MMP2 P08253 7/20 0.37
MMP9 P14780 7/20 0.37
MME P08473 1/20 0.35
LTA4H P09960 1/20 0.35
ANPEP P15144 1/20 0.35
ECE1 P42892 1/20 0.35
METAP2 P50579 1/20 0.35
TRPA1 O75762 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
SCHEMBL2961080 1.00 BACE1 (0.39) BACE1MMP8MMP1MMP2MMP9
SCHEMBL2965615 0.89 MAPK14 (0.40) MMP8MMP1MMP2MMP9MME
SCHEMBL5487090 0.89 MAPK14 (0.40) MMP8MMP1MMP2MMP9MME
SCHEMBL2965100 0.85 PSEN1 (0.40) MMP8MMP1MMP2MMP9
SCHEMBL2956752 0.85 PSEN1 (0.40) MMP8MMP1MMP2MMP9
SCHEMBL2956749 0.85 PSEN1 (0.40) MMP8MMP1MMP2MMP9
SCHEMBL8312723 0.85 PSEN1 (0.40) MMP8MMP1MMP2MMP9
SCHEMBL13041322 0.85 PSEN1 (0.40) MMP8MMP1MMP2MMP9
SCHEMBL8312713 0.84 MMP1 (0.35) BACE1MMP8MMP1MMP2MMP9
SCHEMBL2958400 0.84 MMP1 (0.35) BACE1MMP8MMP1MMP2MMP9

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 7 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

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 BACE1 2/4885MMP8 3843/4885MMP1 2431/4885
US-20070197624-A1 Acylated amino acid amidyl pyrazoles and related compounds APP, BACE1, APH1A BACE1 2/4885MMP8 3843/4885MMP1 2431/4885

“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.