SCHEMBL3371966

SCHEMBL3371966

CC(C)(C)OC(=O)CC(=N)NO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.40
CYP2D6 P10635 1/20 0.35
CA2 P00918 2/20 0.33
CA12 O43570 2/20 0.33
CA14 Q9ULX7 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
CA1 P00915 2/20 0.32
CA7 P43166 2/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
MMP8 P22894 1/20 0.31
APLNR P35414 1/20 0.30

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
SCHEMBL241533 0.78 DGAT1 (0.46) DGAT1CYP2D6CA2CA12CA14
SCHEMBL8312966 0.77 DGAT1 (0.38) DGAT1CYP2D6CA2CA12CA14
SCHEMBL3013718 0.77
Methyl Alcohol SCHEMBL27995686 0.76 DGAT1 (0.44) DGAT1CYP2D6CA2CA12CA14
SCHEMBL2975348 0.75 DGAT1 (0.39) DGAT1CYP2D6CA2CA12CA14
SCHEMBL27400387 0.74 CA12 (0.37) DGAT1CYP2D6CA2CA12CA14
SCHEMBL28316203 0.74 DGAT1 (0.42) DGAT1CYP2D6CA2CA12CA14
SCHEMBL2648388 0.74 DGAT1 (0.42) DGAT1CYP2D6CA2CA12CA14
SCHEMBL442497 0.74 TDP1 (0.44) DGAT1CA2CA12CA14TDP1
SCHEMBL1688813 0.73 DGAT1 (0.38) DGAT1CYP2D6CA2CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1751042-B Pyrazolo[3,4-b]pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LTD 2011-02-23 CN disclosed
WO-2010018458-A2 PHENOL DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2010-02-18 WO disclosed
US-7528148-B2 Pyrazolo[3,4-B]pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
US-20060252790-A1 Pyrazolo [3,4-b] pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2006-11-09 US disclosed
CN-1751042-A Pyrazolo[3,4-b]pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LTD (GB) 2006-03-22 CN 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-20060252790-A1 Pyrazolo [3,4-b] pyridine compounds, and their use as phosphodiesterase inhibitors PDE4A, PDE4B, PDE3B DGAT1 4212/4885CYP2D6 327/4885CA2 611/4885

“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.