SCHEMBL2643213

SCHEMBL2643213

CS(=O)(=O)c1ccc(/C(=N\OC2CCCC2)C(=O)O)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCK P35557 5/20 0.39
KCNH2 Q12809 1/20 0.34
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
CNR2 P34972 2/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL2643218 1.00 GCK (0.39) GCKKCNH2PDE4APDE4BPDE4C
SCHEMBL2643371 0.99 GCK (0.38) GCKKCNH2CNR2SCN9A
SCHEMBL2643372 0.99 GCK (0.38) GCKKCNH2CNR2SCN9A
SCHEMBL2644493 0.89 GCK (0.40) GCKKCNH2PDE4APDE4BPDE4C
SCHEMBL2644496 0.89 GCK (0.40) GCKKCNH2PDE4APDE4BPDE4C
SCHEMBL2644451 0.88 GCK (0.40) GCKKCNH2PDE4APDE4BPDE4C
SCHEMBL2644455 0.88 GCK (0.40) GCKKCNH2PDE4APDE4BPDE4C
SCHEMBL2643851 0.84 GCK (0.37) GCKKCNH2PDE4APDE4BPDE4C
SCHEMBL2643855 0.84 GCK (0.37) GCKKCNH2PDE4APDE4BPDE4C
SCHEMBL2644757 0.84 TSHR (0.44)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902248-B2 C-(Heteroarylaminocarbonyl)-3-phenyl-oxime, e.g., N-Benzothiazol-2-yl-2-(3-chloro-4-methanesulfonyl-phenyl)-2-isopropoxyiminoacetamide and 2-(3-Chloro-4-methanesulfonyl-phenyl)-2-cyclopentyloxyimino-N-(5-methyl-thiazol-2-yl)acetamide; treating metabolic diseases, especially type II diabetes mellitus HOFFMANN-LA ROCHE INC. (US) 2011-03-08 US disclosed
US-20080146625-A1 C-(Heteroarylaminocarbonyl)-3-phenyl-oxime, e.g., N-Benzothiazol-2-yl-2-(3-chloro-4-methanesulfonyl-phenyl)-2-isopropoxyiminoacetamide and 2-(3-Chloro-4-methanesulfonyl-phenyl)-2-cyclopentyloxyimino-N-(5-methyl-thiazol-2-yl)acetamide; treating metabolic diseases, especially type II diabetes mellitus BERTHEL STEVEN JOSEPH 2008-06-19 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-20080146625-A1 C-(Heteroarylaminocarbonyl)-3-phenyl-oxime, e.g., N-Benzothiazol-2-yl-2-(3-chloro-4-methanesulfonyl-phenyl)-2-isopropoxyiminoacetamide and 2-(3-Chloro-4-methanesulfonyl-phenyl)-2-cyclopentyloxyimino-N-(5-methyl-thiazol-2-yl)acetamide; treating metabolic diseases, especially type II diabetes mellitus GCK, PC, PCK2 GCK 1/4885KCNH2 796/4885PDE4A 1375/4885

“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.