SCHEMBL5420293

SCHEMBL5420293

COC(=O)C(CCC(C)(C)C)NC(=O)c1cc2ccccc2cc1N

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PYGL P06737 2/20 0.48
CYP2C9 P11712 2/20 0.48
TAS1R3 Q7RTX0 6/20 0.42
TAS1R1 Q7RTX1 6/20 0.42
KDR P35968 1/20 0.42
GRN P28799 2/20 0.41
SORT1 Q99523 2/20 0.41
IDO1 P14902 1/20 0.40
LNPEP Q9UIQ6 2/20 0.40
ERAP1 Q9NZ08 1/20 0.40
TACR3 P29371 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
KMT2A Q03164 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
SCHEMBL5420297 1.00 PYGL (0.48) PYGLCYP2C9TAS1R3TAS1R1KDR
SCHEMBL5218743 0.87 TAS1R3 (0.48) PYGLCYP2C9TAS1R3TAS1R1KDR
SCHEMBL5192355 0.87 TAS1R3 (0.42) PYGLCYP2C9TAS1R3TAS1R1KDR
SCHEMBL5427980 0.86 PYGL (0.50) PYGLTAS1R3TAS1R1KDRIDO1
SCHEMBL5427982 0.86 PYGL (0.50) PYGLTAS1R3TAS1R1KDRIDO1
SCHEMBL5214636 0.86 TAS1R3 (0.49) PYGLCYP2C9TAS1R3TAS1R1KDR
SCHEMBL5214631 0.86 TAS1R3 (0.49) PYGLCYP2C9TAS1R3TAS1R1KDR
SCHEMBL5417856 0.85 NPSR1 (0.41) TAS1R3TAS1R1KDRKMT2A
SCHEMBL5424475 0.85 TAS1R3 (0.50) PYGLCYP2C9TAS1R3TAS1R1KDR
SCHEMBL5424479 0.85 TAS1R3 (0.50) PYGLCYP2C9TAS1R3TAS1R1KDR

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.