SCHEMBL5194032

SCHEMBL5194032

CCCCOCC(C(=O)O)N(C)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ABCB1 P08183 2/20 0.44
FOLH1 Q04609 2/20 0.42
TLR2 O60603 3/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
CETP P11597 1/20 0.39

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
SCHEMBL22092025 0.90 ITGB3 (0.49) ITGB3ITGA2BALDH1A1CYP3A4TSHR
SCHEMBL21837512 0.89 ITGB3 (0.47) ITGB3ITGA2BALDH1A1MAPK1TDP1
SCHEMBL21837387 0.89 ITGB3 (0.47) ITGB3ITGA2BALDH1A1MAPK1TDP1
SCHEMBL5192318 0.87 ABCB1 (0.47) ITGB3ITGA2BALDH1A1TSHRMAPK1
SCHEMBL5191996 0.86 ABCB1 (0.47) ITGB3ITGA2BALDH1A1MAPK1TDP1
SCHEMBL25185926 0.85 CTSK (0.47) ITGB3ITGA2BALDH1A1ABCB1FOLH1
SCHEMBL22552800 0.85 ITGB3 (0.46) ITGB3ITGA2BALDH1A1CYP3A4TSHR
SCHEMBL16446175 0.85 FOLH1 (0.53) ITGB3ITGA2BALDH1A1CYP3A4TSHR
SCHEMBL14842127 0.84 ABCB1 (0.52) ITGB3ITGA2BALDH1A1MAPK1TDP1
SCHEMBL25186538 0.84 FOLH1 (0.55) ITGB3ITGA2BALDH1A1CYP3A4TSHR

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 ITGB3 1622/4885ITGA2B 2752/4885ALDH1A1 2212/4885

“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.