SCHEMBL4949895

SCHEMBL4949895

CC(C)(C)OC(=O)N[C@@H]1CC(=O)O1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
NFKB1 P19838 5/20 0.50
NFKB2 Q00653 5/20 0.50
RELA Q04206 5/20 0.50
BTK Q06187 1/20 0.45
EPHX2 P34913 1/20 0.42
CTSK P43235 2/20 0.42
KDM1A O60341 2/20 0.40
MAOB P27338 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL2936974 0.79 GAA (0.53) GAANFKB1NFKB2RELABTK
SCHEMBL3307631 0.79 GAA (0.53) GAANFKB1NFKB2RELABTK
SCHEMBL9846492 0.79 GAA (0.53) GAANFKB1NFKB2RELABTK
Nonane SCHEMBL28141454 0.77 GAA (0.39) GAANFKB1NFKB2RELA
SCHEMBL570801 0.77 GAA (0.54) GAANFKB1NFKB2RELABTK
SCHEMBL8700402 0.77 GAA (0.50) GAANFKB1NFKB2RELABTK
SCHEMBL14153070 0.77 GAA (0.50) GAANFKB1NFKB2RELABTK
SCHEMBL15502088 0.76 GAA (0.54) GAANFKB1NFKB2RELABTK
SCHEMBL18570971 0.76 GAA (0.54) GAANFKB1NFKB2RELABTK
SCHEMBL8225701 0.76 GAA (0.54) GAANFKB1NFKB2RELABTK

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
EP-1921062-A2 Amino acid derivatives as HIV aspartyl protease inhibitors Ambrilia Biopharma Inc. (CA) 2008-05-14 EP disclosed
EP-1458378-B1 AMINO ACID DERIVATIVES USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARM INC (US) 2006-05-24 EP disclosed
US-20060079550-A1 Amino acid derivatives useful for the treatment of alzheimer's disease ELAN PHARMACEUTICALS, INC. 2006-04-13 US disclosed
EP-1263716-A2 AMINO ACID DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS Pharmacor Inc. (CA) 2002-12-11 EP disclosed
US-6455587-B1 AROMATIC SULFONYL DERIVATIVES PHARMACOR INC. (CA) 2002-09-24 US disclosed
WO-2001068593-A2 AMINO ACID DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS PHARMACOR INC. (CA) 2001-09-20 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 (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-20060079550-A1 Amino acid derivatives useful for the treatment of alzheimer's disease BACE1, APP, PSEN1 GAA 197/4885NFKB1 1593/4885NFKB2 2260/4885

“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.