SCHEMBL2173595

SCHEMBL2173595

COc1cccc2c(S(N)(=O)=O)cn(S(=O)(=O)c3ccccc3)c12

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.52
GAA P10253 2/20 0.43
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GFER P55789 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL2174679 0.87 HTR6 (0.52) HTR6GAAMEN1KMT2AGFER
SCHEMBL12993890 0.80 MEN1 (0.53) HTR6GAAMEN1KMT2A
SCHEMBL2087675 0.78 BRD4 (0.48) HTR6GAACA12CA1CA2
SCHEMBL29651324 0.75 CA12 (0.63) HTR6CA12CA1CA2CA9
SCHEMBL22864562 0.75 CA12 (0.63) HTR6CA12CA1CA2CA9
SCHEMBL2880204 0.75 HTR6 (0.51) HTR6CA12CA1CA2CA9
SCHEMBL931908 0.71 HTR6 (0.62) HTR6GAAMEN1KMT2AGFER
SCHEMBL3617754 0.71 HTR6 (0.58) HTR6GAAMEN1KMT2AGFER
SCHEMBL27622283 0.71 HTR6 (0.69) HTR6MEN1KMT2A
SCHEMBL28392838 0.69 ALOX5 (0.48) HTR6GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973051-B2 Aminothiazoles as FBPase inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2011-07-05 US disclosed
EP-2227468-A1 AMINOTHIAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
US-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US disclosed
WO-2009068467-A1 AMINOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 WO 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-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES FBP1, SLC5A1, DPP4 HTR6 3347/4885GAA 378/4885CA12 4148/4885

“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.