SCHEMBL5214048

SCHEMBL5214048

CCCCOC[C@H](NC(=O)c1cc2ccccc2cc1N)C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PYGL P06737 4/20 0.52
CYP2C9 P11712 3/20 0.52
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TAS1R3 Q7RTX0 7/20 0.40
TAS1R1 Q7RTX1 7/20 0.40
KDR P35968 1/20 0.40
CNR2 P34972 3/20 0.40
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
ERAP2 Q6P179 1/20 0.38
LNPEP Q9UIQ6 1/20 0.38
IDO1 P14902 1/20 0.38
TACR3 P29371 1/20 0.38

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
SCHEMBL5423924 0.90 TAS1R3 (0.42) PYGLCYP2C9ALDH1A1HSD17B10TAS1R3
SCHEMBL5411481 0.89 PYGL (0.49) PYGLCYP2C9ALDH1A1TAS1R3TAS1R1
SCHEMBL5424475 0.86 TAS1R3 (0.50) PYGLCYP2C9TAS1R3TAS1R1KDR
SCHEMBL5424479 0.86 TAS1R3 (0.50) PYGLCYP2C9TAS1R3TAS1R1KDR
SCHEMBL5194508 0.85 LNPEP (0.48) PYGLCYP2C9TAS1R3TAS1R1KDR
SCHEMBL5218743 0.84 TAS1R3 (0.48) PYGLCYP2C9TAS1R3TAS1R1KDR
SCHEMBL5195321 0.83 PYGL (0.52) PYGLCYP2C9ALDH1A1TAS1R3TAS1R1
SCHEMBL5420020 0.82 PYGL (0.49) PYGLCYP2C9ALDH1A1TAS1R3TAS1R1
SCHEMBL5417140 0.81 PYGL (0.50) PYGLCYP2C9ALDH1A1TAS1R3TAS1R1
SCHEMBL5420846 0.79 TAS1R3 (0.62) TAS1R3TAS1R1

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 PYGL 2/4885CYP2C9 2982/4885ALDH1A1 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.