SCHEMBL2643475

SCHEMBL2643475

CCOC(=O)C(=O)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
GSR P00390 1/20 0.45
PTGS2 P35354 1/20 0.44

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
SCHEMBL63779 0.82 KMT2A (0.64) ALDH1A1MAPTGAAKMT2A
SCHEMBL933186 0.82 ALDH1A1 (0.53) ALDH1A1GAAKMT2AGSR
SCHEMBL19859194 0.81 GAA (0.44) ALDH1A1GAAKMT2AGSRPTGS2
SCHEMBL19859448 0.80 ENPP2 (0.47) KMT2AGSRPTGS2
SCHEMBL184966 0.80 ALDH1A1 (0.44) ALDH1A1MAPTGAAKMT2A
SCHEMBL22559942 0.80 PTGS2 (0.56) ALDH1A1PTGS2
SCHEMBL167161 0.80 CES2 (0.60) ALDH1A1MAPTGAAKMT2A
SCHEMBL21636244 0.80 MAPT (0.53) ALDH1A1MAPTKMT2A
SCHEMBL16799997 0.79 MMP2 (0.44) ALDH1A1MAPTGAAKMT2A
SCHEMBL641616 0.78 CA12 (0.66) ALDH1A1MAPTKMT2A

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 ALDH1A1 757/4885MAPT 4253/4885GAA 287/4885

“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.