SCHEMBL5194073

SCHEMBL5194073

O=C(O)CC(=O)ONC(=O)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.56
KDM4E B2RXH2 2/20 0.56
LMNA P02545 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
MIF P14174 1/20 0.50
TSHR P16473 2/20 0.49
CYP1A2 P05177 1/20 0.49
NFKB1 P19838 1/20 0.49
MAOB P27338 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
HSP90AA1 P07900 1/20 0.47
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 2/20 0.44

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
SCHEMBL15049594 0.83 RAB9A (0.54) ALDH1A1MAPTLMNARAB9ANPC1
SCHEMBL14714515 0.81 RAB9A (0.53) ALDH1A1MAPTKDM4ELMNARAB9A
SCHEMBL5193383 0.80 CA1 (0.62) ALDH1A1MAPTKDM4ELMNAL3MBTL1
SCHEMBL13479835 0.78 ALDH1A1 (0.66) ALDH1A1MAPTKDM4ELMNAL3MBTL1
SCHEMBL27540289 0.78 HDAC3 (0.54) ALDH1A1MAPTKDM4ELMNAL3MBTL1
SCHEMBL1534403 0.77 RAB9A (0.64) ALDH1A1MAPTKDM4ELMNAL3MBTL1
SCHEMBL13479797 0.77 ALDH1A1 (0.57) ALDH1A1MAPTKDM4ELMNAL3MBTL1
SCHEMBL13479737 0.76 ALDH1A1 (0.79) ALDH1A1MAPTKDM4ELMNAL3MBTL1
SCHEMBL31315673 0.75 ALDH1A1 (0.77) ALDH1A1MAPTKDM4ELMNAL3MBTL1
SCHEMBL27374270 0.73 TDP1 (0.56) ALDH1A1MAPTLMNAL3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 US disclosed
EP-1812383-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF Smithkline Beecham Corporation (US) 2007-08-01 EP disclosed
WO-2006052722-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 WO 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-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof PYGM, PYGL, GYS1 ALDH1A1 2212/4885MAPT 1171/4885KDM4E 1970/4885

“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.