SCHEMBL2643908

SCHEMBL2643908

COC(=O)c1ccc(Cn2ccc(NC(=O)/C(=N/OC3CCCC3)c3ccc(S(C)(=O)=O)c(Cl)c3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAF1 P04049 1/20 0.35
CACNA1G O43497 6/20 0.35
CACNA1H O95180 6/20 0.35
CACNA1I Q9P0X4 6/20 0.35
GCK P35557 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CACNA1C Q13936 1/20 0.34
MAPT P10636 1/20 0.33
KCNH2 Q12809 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
SCHEMBL2643909 1.00 LMNA (0.37) LMNAALDH1A1MAPK1NPC1RAB9A
SCHEMBL2643939 0.92 LMNA (0.37) LMNAALDH1A1MAPK1NPC1RAB9A
SCHEMBL2643944 0.92 LMNA (0.37) LMNAALDH1A1MAPK1NPC1RAB9A
SCHEMBL2644084 0.88 GCK (0.38) LMNAALDH1A1MAPK1NPC1RAB9A
SCHEMBL2644078 0.88 GCK (0.38) LMNAALDH1A1MAPK1NPC1RAB9A
SCHEMBL2643188 0.88 GCK (0.35) LMNAALDH1A1MAPK1RAF1GCK
SCHEMBL2643191 0.88 GCK (0.35) LMNAALDH1A1MAPK1RAF1GCK
SCHEMBL2643432 0.87 MEN1 (0.38) LMNAALDH1A1MAPK1NPC1RAB9A
SCHEMBL2643430 0.87 MEN1 (0.38) LMNAALDH1A1MAPK1NPC1RAB9A
SCHEMBL2643280 0.85 NPC1 (0.39) LMNAALDH1A1NPC1RAB9ASMN1; SMN2

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 6 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 claimed
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 claimed
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-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
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 LMNA 3474/4885ALDH1A1 757/4885MAPK1 1568/4885

“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.