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SCHEMBL13299052

SCHEMBL13299052

COC(=O)C(C(=O)OC)[C@@H]1c2ccccc2C[C@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.45
▸ ATM Q13315 1/20 0.41
▸ KDM1A O60341 2/20 0.40
▸ MAOB P27338 2/20 0.40
▸ NFKB1 P19838 3/20 0.40
▸ NFKB2 Q00653 3/20 0.40
▸ RELA Q04206 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ DRD2 P14416 2/20 0.39
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KLK5 Q9Y337 2/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PYGL P06737 1/20 0.36
▸ MAOA P21397 1/20 0.35

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
SCHEMBL4158955 0.90 EPHX2 (0.44) EPHX2ATMKDM1AMAOBNFKB1
SCHEMBL4708793 0.90 EPHX2 (0.45) EPHX2ATMKDM1AMAOBNFKB1
SCHEMBL3331272 0.90 EPHX2 (0.45) EPHX2ATMKDM1AMAOBNFKB1
SCHEMBL3327185 0.84 DRD2 (0.42) EPHX2ATMKDM1AMAOBNFKB1
SCHEMBL3327685 0.84 PYGL (0.49) EPHX2ATMKDM1AMAOBNFKB1
SCHEMBL3325661 0.80 PYGL (0.43) EPHX2ATMKDM1AMAOBNFKB1
SCHEMBL4914877 0.80 EPHX2 (0.47) EPHX2ATMKDM1AMAOBNFKB1
SCHEMBL14015839 0.80 EPHX2 (0.47) EPHX2ATMKDM1AMAOBNFKB1
SCHEMBL8654081 0.79 EPHX2 (0.41) EPHX2ATMKDM1AMAOBNFKB1
SCHEMBL14348198 0.79 EPHX2 (0.49) EPHX2ATMKDM1AMAOBNFKB1

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 7 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-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
US-20090124682-A1 Indan-Amide Derivatives with Glycogen Phosphorylase Inhibitory Activity BIRCH ALAN MARTIN 2009-05-14 — — US disclosed
EP-1658069-B1 HETEROCYCLIC AMIDE DERIVATIVES WHICH POSSESS GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 — — EP disclosed
US-20080064691-A1 Heterocyclic Amide Derivatives Which Possess Glycogen Phosphorylase Inhibitory Activity ASTRAZENECA AB (SE) 2008-03-13 — — US disclosed
US-20080064691-A1 Heterocyclic Amide Derivatives Which Possess Glycogen Phosphorylase Inhibitory Activity ASTRAZENECA AB (SE) 2008-03-13 — — 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-20100137397-A1 Chemical Compounds PYGL, PYGM, GYS2 EPHX2 2475/4885ATM 2986/4885KDM1A 2935/4885
US-20080064691-A1 Heterocyclic Amide Derivatives Which Possess Glycogen Phosphorylase Inhibitory Activity PYGL, PYGM, GYS1 EPHX2 2085/4885ATM 4326/4885KDM1A 2068/4885
US-20090124682-A1 Indan-Amide Derivatives with Glycogen Phosphorylase Inhibitory Activity PYGL, PYGM, GYS1 EPHX2 3678/4885ATM 2233/4885KDM1A 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.