SCHEMBL3327451

SCHEMBL3327451

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.39
▸ PYGL P06737 13/20 0.39
▸ TOP2A P11388 1/20 0.36
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ GRM7 Q14831 1/20 0.33

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
SCHEMBL3327446 1.00 ATM (0.39) ATMPYGLTOP2AMTNR1AMTNR1B
SCHEMBL13299033 0.89 EPHX2 (0.41) ATMPYGLTOP2AKMT2A
SCHEMBL13850674 0.89 EPHX2 (0.41) ATMPYGLTOP2AKMT2A
SCHEMBL3327649 0.79 TOP2A (0.38) TOP2AMEN1TSHRKMT2A
SCHEMBL4654051 0.79 PYGL (0.68) PYGL
SCHEMBL4654053 0.79 PYGL (0.68) PYGL
SCHEMBL3326627 0.78 ATM (0.38) ATMPYGLMTNR1AMTNR1BMEN1
SCHEMBL9489863 0.78 MTNR1A (0.46) ATMPYGLMTNR1AMTNR1BMEN1
SCHEMBL3328882 0.78 PYGL (0.69) PYGL
SCHEMBL3328886 0.78 PYGL (0.69) PYGL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137397-A1 Chemical Compounds ASTRAZENECA AB (SE) 2010-06-03 — — US disclosed
EP-1658067-B1 INDOLAMIDE DERIVATIVES WHICH POSSESS GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2008-11-12 — — EP disclosed
EP-1658069-B1 HETEROCYCLIC AMIDE DERIVATIVES WHICH POSSESS GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 — — EP 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 ATM 2821/4885PYGL 1/4885TOP2A 988/4885
US-20100137397-A1 Chemical Compounds PYGL, PYGM, GYS2 ATM 2986/4885PYGL 1/4885TOP2A 2308/4885

“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.

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