SCHEMBL4653880

SCHEMBL4653880

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
ATM Q13315 1/20 0.41
DRD2 P14416 3/20 0.39
KDM1A O60341 2/20 0.38
MAOB P27338 2/20 0.38
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PYGL P06737 3/20 0.37
NAMPT P43490 2/20 0.37
KCNA3 P22001 1/20 0.36
MAOA P21397 1/20 0.36
NFKB1 P19838 3/20 0.35
NFKB2 Q00653 3/20 0.35
RELA Q04206 3/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
IDO1 P14902 1/20 0.34

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
SCHEMBL14015808 0.84 EPHX2 (0.41) EPHX2ATMDRD2KDM1AMAOB
SCHEMBL13299034 0.84 EPHX2 (0.47) EPHX2ATMDRD2KDM1AMAOB
SCHEMBL13299015 0.84 EPHX2 (0.47) EPHX2ATMDRD2KDM1AMAOB
SCHEMBL14015843 0.82 EPHX2 (0.40) EPHX2ATMDRD2KDM1AMAOB
SCHEMBL3328981 0.82 PYGL (0.49) EPHX2ATMDRD2KDM1AMAOB
SCHEMBL13299051 0.81 EPHX2 (0.44) EPHX2ATMDRD2KDM1AMAOB
SCHEMBL8652209 0.81 KMT2A (0.46) EPHX2ATMDRD2KDM1AMAOB
SCHEMBL7329129 0.81 KMT2A (0.46) EPHX2ATMDRD2KDM1AMAOB
SCHEMBL3332302 0.81 EPHX2 (0.42) EPHX2ATMDRD2KDM1AMAOB
SCHEMBL13299032 0.81 EPHX2 (0.42) EPHX2ATMDRD2KDM1AMAOB

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
EP-1658067-B1 INDOLAMIDE DERIVATIVES WHICH POSSESS GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2008-11-12 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
US-20080064691-A1 Heterocyclic Amide Derivatives Which Possess Glycogen Phosphorylase Inhibitory Activity ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20060211760-A1 Indolamide derivatives which possess glycogen phosphorylase inhibitory activity ASTRAZENECA AB (SE) 2006-09-21 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-20060211760-A1 Indolamide derivatives which possess glycogen phosphorylase inhibitory activity PYGL, PYGM, PYGB EPHX2 2943/4885ATM 2821/4885DRD2 2419/4885
US-20080064691-A1 Heterocyclic Amide Derivatives Which Possess Glycogen Phosphorylase Inhibitory Activity PYGL, PYGM, GYS1 EPHX2 2085/4885ATM 4326/4885DRD2 2645/4885

“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.