SCHEMBL5214636

SCHEMBL5214636

COC(=O)[C@H](CCC(C)C)NC(=O)c1cc2ccccc2cc1N

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 9/20 0.49
TAS1R1 Q7RTX1 9/20 0.49
PYGL P06737 1/20 0.47
CYP2C9 P11712 1/20 0.47
KDR P35968 1/20 0.43
IDO1 P14902 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
LNPEP Q9UIQ6 1/20 0.42
TACR3 P29371 1/20 0.41
FNTA P49354 4/20 0.41
PGGT1B P53609 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
FNTB P49356 2/20 0.40
ERAP2 Q6P179 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5214631 1.00 TAS1R3 (0.49) TAS1R3TAS1R1PYGLCYP2C9KDR
SCHEMBL5420852 0.89 TAS1R3 (0.62) TAS1R3TAS1R1FNTAPGGT1BTDP1
SCHEMBL5218743 0.89 TAS1R3 (0.48) TAS1R3TAS1R1PYGLCYP2C9KDR
SCHEMBL5420846 0.89 TAS1R3 (0.62) TAS1R3TAS1R1FNTAPGGT1BTDP1
SCHEMBL5424475 0.87 TAS1R3 (0.50) TAS1R3TAS1R1PYGLCYP2C9KDR
SCHEMBL5424479 0.87 TAS1R3 (0.50) TAS1R3TAS1R1PYGLCYP2C9KDR
SCHEMBL5192355 0.87 TAS1R3 (0.42) TAS1R3TAS1R1PYGLCYP2C9KDR
SCHEMBL5194508 0.86 LNPEP (0.48) TAS1R3TAS1R1PYGLCYP2C9KDR
SCHEMBL5420297 0.86 PYGL (0.48) TAS1R3TAS1R1PYGLCYP2C9KDR
SCHEMBL5420293 0.86 PYGL (0.48) TAS1R3TAS1R1PYGLCYP2C9KDR

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 TAS1R3 4821/4885TAS1R1 4799/4885PYGL 2/4885

“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.