SCHEMBL2176875

SCHEMBL2176875

NS(=O)(=O)c1cc2cccc(-c3ccncc3)c2s1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.57
PDE10A Q9Y233 1/20 0.47
CDK5 Q00535 2/20 0.46
CDK5R1 Q15078 2/20 0.46
CA12 O43570 5/20 0.44
CA1 P00915 5/20 0.44
CA9 Q16790 5/20 0.44
LRRK2 Q5S007 2/20 0.38
SCN9A Q15858 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36

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
SCHEMBL29809458 0.77 PDE10A (0.48) PDE10ACDK2
SCHEMBL10367795 0.73 CA2 (1.00) CA2CA12CA1CA9CDK2
SCHEMBL2177921 0.72 CA2 (0.68) CA2CA12CA1CA9
SCHEMBL2173848 0.70 CA2 (1.00) CA2CA12CA1CA9
SCHEMBL29442129 0.66 LRRK2 (0.49) CA2CA12CA1CA9LRRK2
SCHEMBL1990221 0.66 LRRK2 (0.49) CA2CA12CA1CA9LRRK2
SCHEMBL10648170 0.66 CA2 (0.59) CA2
SCHEMBL10647330 0.66 CA2 (0.54) CA2CA12CA1CA9
SCHEMBL10648225 0.66 CA2 (0.59) CA2CDK5LRRK2
SCHEMBL388931 0.65 CYP2A6 (0.42) PDE10ASCN9A

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 CA2 1616/4885PDE10A 3076/4885CDK5 1597/4885

“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.