SCHEMBL10163100

SCHEMBL10163100

[2H]C([2H])(C)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
ALDH1A1 P00352 3/20 0.46
STAT3 P40763 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
VDR P11473 1/20 0.42
TLR9 Q9NR96 1/20 0.42
KMT2A Q03164 3/20 0.41

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
SCHEMBL13020917 0.89 GAA (0.43) GAAALDH1A1STAT3CYP3A4CYP2C9
SCHEMBL31178348 0.89 GAA (0.43) GAAALDH1A1STAT3CYP3A4CYP2C9
SCHEMBL28657042 0.88 GAA (0.46) GAAALDH1A1STAT3CYP3A4CYP2C9
SCHEMBL23567067 0.86 GAA (0.48) GAAALDH1A1STAT3CYP3A4CYP2C9
SCHEMBL27140862 0.86 GAA (0.48) GAAALDH1A1STAT3CYP3A4CYP2C9
SCHEMBL12570393 0.85 GAA (0.43) GAAALDH1A1STAT3CYP3A4CYP2C9
SCHEMBL76249 0.83 GAA (0.50) GAAALDH1A1STAT3CYP3A4CYP2C9
SCHEMBL22209113 0.82 GAA (0.45) GAAALDH1A1STAT3CYP3A4CYP2C9
SCHEMBL21609433 0.82 GAA (0.45) GAAALDH1A1STAT3CYP3A4CYP2C9
SCHEMBL20486 0.82 GAA (0.45) GAAALDH1A1STAT3CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130274299-A1 Cognition Enhancing Compounds and Compositions, Methods of Making, and Methods of Treating MAPLIGHT THERAPEUTICS, INC. 2013-10-17 US disclosed
US-20120046273-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING MITHRIDION, INC. (US) 2012-02-23 US disclosed
US-20110263613-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING MAPLIGHT THERAPEUTICS, INC. 2011-10-27 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 (3 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-20120046273-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING CHRM3, CHRM4, CHRM5 GAA 1933/4885ALDH1A1 3256/4885STAT3 3507/4885
US-20130274299-A1 Cognition Enhancing Compounds and Compositions, Methods of Making, and Methods of Treating CHRM3, CHRM4, CHRM5 GAA 3006/4885ALDH1A1 2646/4885STAT3 4180/4885
US-20110263613-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING CHRM3, ACHE, CHRM4 GAA 1392/4885ALDH1A1 2398/4885STAT3 4575/4885

“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.