SCHEMBL2643191

SCHEMBL2643191

CCCn1ccc(NC(=O)C(=NOC2CCCC2)c2ccc(S(C)(=O)=O)c(Cl)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCK P35557 6/20 0.35
RAF1 P04049 1/20 0.35
KCNH2 Q12809 3/20 0.34
MAPK1 P28482 2/20 0.33
CPT1A P50416 4/20 0.31
CPT1B Q92523 4/20 0.31
EPHX2 P34913 1/20 0.31
KDM2B Q8NHM5 1/20 0.30
HSD11B1 P28845 1/20 0.30
ALDH1A1 P00352 2/20 0.30
MAPT P10636 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL2643188 1.00 GCK (0.35) GCKRAF1KCNH2MAPK1CPT1A
SCHEMBL2643275 0.89 NPC1 (0.39) GCKKCNH2ALDH1A1MAPTLMNA
SCHEMBL2643280 0.89 NPC1 (0.39) GCKKCNH2ALDH1A1MAPTLMNA
SCHEMBL2643815 0.88 NPC1 (0.38) GCKKCNH2ALDH1A1MAPTLMNA
SCHEMBL2643819 0.88 NPC1 (0.38) GCKKCNH2ALDH1A1MAPTLMNA
SCHEMBL2643944 0.88 LMNA (0.37) GCKKCNH2MAPK1ALDH1A1MAPT
SCHEMBL2643939 0.88 LMNA (0.37) GCKKCNH2MAPK1ALDH1A1MAPT
SCHEMBL2643909 0.88 LMNA (0.37) GCKRAF1KCNH2MAPK1ALDH1A1
SCHEMBL2643908 0.88 LMNA (0.37) GCKRAF1KCNH2MAPK1ALDH1A1
SCHEMBL2644084 0.85 GCK (0.38) GCKKCNH2MAPK1ALDH1A1MAPT

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 1/4885RAF1 1486/4885KCNH2 796/4885

“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.