SCHEMBL2644496

SCHEMBL2644496

COC(=O)C(=NOC1CCCC1)c1ccc(S(C)(=O)=O)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.40
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TAS1R3 Q7RTX0 3/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
VCAM1 P19320 1/20 0.34
SCN9A Q15858 2/20 0.34
SCN5A Q14524 1/20 0.34
TAS1R2 Q8TE23 1/20 0.33

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
SCHEMBL2644493 1.00 GCK (0.40) GCKKCNH2ALDH1A1L3MBTL1TAS1R3
SCHEMBL2644455 0.99 GCK (0.40) GCKKCNH2ALDH1A1L3MBTL1TAS1R3
SCHEMBL2644451 0.99 GCK (0.40) GCKKCNH2ALDH1A1L3MBTL1TAS1R3
SCHEMBL2643218 0.89 GCK (0.39) GCKKCNH2PDE4APDE4BPDE4C
SCHEMBL2643213 0.89 GCK (0.39) GCKKCNH2PDE4APDE4BPDE4C
SCHEMBL2643371 0.88 GCK (0.38) GCKKCNH2ALDH1A1L3MBTL1SCN9A
SCHEMBL2643372 0.88 GCK (0.38) GCKKCNH2ALDH1A1L3MBTL1SCN9A
SCHEMBL2643851 0.84 GCK (0.37) GCKKCNH2ALDH1A1L3MBTL1TAS1R3
SCHEMBL2643855 0.84 GCK (0.37) GCKKCNH2ALDH1A1L3MBTL1TAS1R3
SCHEMBL2643557 0.80 GCK (0.47) GCKKCNH2ALDH1A1

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 796/4885ALDH1A1 757/4885

“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.