SCHEMBL5420588

SCHEMBL5420588

CC1([C@H](NC(=O)c2cc(-c3ccccc3)sc2NC(=O)Nc2c(Cl)cccc2Cl)C(=O)O)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PYGL P06737 7/20 0.45
CHEK1 O14757 3/20 0.43
CYP2C9 P11712 1/20 0.42
MAP4K4 O95819 1/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
PTPN5 P54829 1/20 0.42
KDM4E B2RXH2 1/20 0.40
POLB P06746 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
SCHEMBL5412675 0.95 PYGL (0.45) PYGLCHEK1CYP2C9MAP4K4NPC1
SCHEMBL5427603 0.93 PYGL (0.42) PYGLCHEK1CYP2C9MAP4K4
SCHEMBL5417429 0.93 CHEK1 (0.40) PYGLCHEK1CYP2C9MAP4K4NPC1
SCHEMBL5424253 0.92 PYGL (0.41) PYGLCHEK1CYP2C9MAPT
SCHEMBL5434405 0.91 PYGL (0.44) PYGLCYP2C9
SCHEMBL5417707 0.89 PYGL (0.39) PYGLCHEK1CYP2C9MAP4K4MAPT
SCHEMBL5422799 0.88 PYGL (0.44) PYGLCYP2C9NPC1MAPTRAB9A
SCHEMBL5420841 0.87 PYGL (0.43) PYGLCYP2C9
SCHEMBL5413025 0.86 PYGL (0.43) PYGLCYP2C9NPC1MAPTRAB9A
SCHEMBL5424626 0.85 MAPT (0.50) PYGLCYP2C9MAPTKDM4E

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 2/4885CHEK1 2440/4885CYP2C9 2982/4885

“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.