SCHEMBL3328981

SCHEMBL3328981

CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2[C@H]1CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PYGL P06737 11/20 0.49
EPHX2 P34913 1/20 0.45
KDM1A O60341 2/20 0.43
MAOB P27338 1/20 0.43
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DRD2 P14416 2/20 0.41
ATM Q13315 1/20 0.41
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KCNA3 P22001 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
SCHEMBL13299051 0.89 EPHX2 (0.44) PYGLEPHX2KDM1AMAOBKMT2A
SCHEMBL13299034 0.87 EPHX2 (0.47) PYGLEPHX2KDM1AMAOBKMT2A
SCHEMBL13299015 0.87 EPHX2 (0.47) PYGLEPHX2KDM1AMAOBKMT2A
SCHEMBL7329129 0.86 KMT2A (0.46) EPHX2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL8652209 0.86 KMT2A (0.46) EPHX2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL3332302 0.86 EPHX2 (0.42) PYGLEPHX2KDM1AMAOBKMT2A
SCHEMBL7423742 0.83 EPHX2 (0.48) EPHX2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL14016078 0.83 EPHX2 (0.48) EPHX2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL4654164 0.83 EPHX2 (0.48) EPHX2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL7335350 0.82 PPARA (0.46) EPHX2KDM1AMAOBKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137397-A1 Chemical Compounds ASTRAZENECA AB (SE) 2010-06-03 US disclosed
US-20090124682-A1 Indan-Amide Derivatives with Glycogen Phosphorylase Inhibitory Activity BIRCH ALAN MARTIN 2009-05-14 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-20100137397-A1 Chemical Compounds PYGL, PYGM, GYS2 PYGL 1/4885EPHX2 2475/4885KDM1A 2935/4885
US-20090124682-A1 Indan-Amide Derivatives with Glycogen Phosphorylase Inhibitory Activity PYGL, PYGM, GYS1 PYGL 1/4885EPHX2 3678/4885KDM1A 936/4885

“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.