SCHEMBL6705696

SCHEMBL6705696

CC(C)C[C@H](Nc1ccc(Cl)c(Cl)c1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRN P28799 2/20 0.62
SORT1 Q99523 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.58
MAPK1 P28482 2/20 0.51
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
FPR2 P25090 4/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
MMP8 P22894 1/20 0.46
MMP14 P50281 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CYP3A4 P08684 1/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL6705695 1.00 GRN (0.62) GRNSORT1SMN1; SMN2MAPK1KDM4E
SCHEMBL1824097 0.86 GRN (0.61) GRNSORT1SMN1; SMN2MAPK1FPR2
SCHEMBL1824098 0.86 GRN (0.61) GRNSORT1SMN1; SMN2MAPK1FPR2
SCHEMBL734621 0.84 CYP3A4 (0.53) GRNSORT1SMN1; SMN2MAPK1KDM4E
SCHEMBL4413478 0.83 SMN1; SMN2 (0.53) GRNSORT1SMN1; SMN2LMNAMMP8
SCHEMBL4413482 0.83 SMN1; SMN2 (0.53) GRNSORT1SMN1; SMN2LMNAMMP8
SCHEMBL11198311 0.83 ALDH1A1 (0.57) GRNSORT1MAPK1MAPTFPR2
SCHEMBL11198315 0.83 ALDH1A1 (0.57) GRNSORT1MAPK1MAPTFPR2
SCHEMBL6709284 0.82 RAB9A (0.50) GRNSORT1SMN1; SMN2MAPK1KDM4E
SCHEMBL30248286 0.81 MAPK1 (0.71) GRNSORT1SMN1; SMN2MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040058900-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds WU JING (US) 2004-03-25 US disclosed
US-20040043977-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds WU JING (US) 2004-03-04 US disclosed
US-6683075-B1 FUSED NITROGENHETEROCYCLIC AMIDES; ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 2004-01-27 US disclosed
US-6667305-B1 Alzheimer's disease; beta-amyloid peptide is a small fragment of the amyloid precursor protein ATHENA NEUROSCIENCES, INC. 2003-12-23 US disclosed
US-6653303-B1 Fused nitroheterocycle with amino and amido functionality; inhibiting beta-amyloid peptide release and/or synthesis; Alzheimer's disease ATHENA NEUROSCIENCES, INC. 2003-11-25 US disclosed
US-6635632-B1 Alzheimer's disease ATHENA NEUROSCIENCES, INC. 2003-10-21 US disclosed
US-6559141-B2 Inhibit beta-amyloid peptide release and/or synthesis, use in treating Alzheimer's disease; for example, 5-(N'-(phenylacetyl)-L-alpha-(2-thienyl)glycinyl)-amino-7-methyl-5,7-dihydro-6H-dibenz(b, d)azepin-6-one ATHENA NEUROSCIENCES, INC. 2003-05-06 US disclosed
US-6544978-B2 Treating Alzheimer's disease both prophylactically and therapeutically ATHENA NEUROSCIENCES, INC. 2003-04-08 US disclosed
US-6506782-B1 Compounds which inhibit beta -amyloid peptide release and/or its synthesis, and, accordingly, have utility in treating Alzheimer's disease. Also disclosed are pharmaceutical compositions comprising a compound which inhibits beta ATHENA NEUROSCIENCES, INC. 2003-01-14 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-20040043977-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 GRN 61/4885SORT1 1588/4885SMN1; SMN2 2323/4885
US-20040058900-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 GRN 61/4885SORT1 1588/4885SMN1; SMN2 2323/4885

“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.