SCHEMBL5411481

SCHEMBL5411481

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 3/20 0.49
CYP2C9 P11712 3/20 0.49
TAS1R3 Q7RTX0 5/20 0.43
TAS1R1 Q7RTX1 5/20 0.43
KDR P35968 1/20 0.43
RAB9A P51151 2/20 0.41
GAA P10253 2/20 0.41
IDO1 P14902 1/20 0.41
TACR3 P29371 2/20 0.40
LNPEP Q9UIQ6 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
AHR P35869 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37

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 0.89 TAS1R3 (0.42) PYGLCYP2C9TAS1R3TAS1R1KDR
SCHEMBL5214048 0.89 PYGL (0.52) PYGLCYP2C9TAS1R3TAS1R1KDR
SCHEMBL5195321 0.87 PYGL (0.52) PYGLCYP2C9TAS1R3TAS1R1KDR
SCHEMBL5420020 0.86 PYGL (0.49) PYGLCYP2C9TAS1R3TAS1R1KDR
SCHEMBL5218743 0.85 TAS1R3 (0.48) PYGLCYP2C9TAS1R3TAS1R1KDR
SCHEMBL5417140 0.85 PYGL (0.50) PYGLCYP2C9TAS1R3TAS1R1KDR
SCHEMBL5424475 0.83 TAS1R3 (0.50) PYGLCYP2C9TAS1R3TAS1R1KDR
SCHEMBL5424479 0.83 TAS1R3 (0.50) PYGLCYP2C9TAS1R3TAS1R1KDR
SCHEMBL5420852 0.83 TAS1R3 (0.62) TAS1R3TAS1R1TDP1
SCHEMBL5420846 0.83 TAS1R3 (0.62) TAS1R3TAS1R1TDP1

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 1 patent. 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

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 2982/4885TAS1R3 4821/4885

“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.