SCHEMBL2175461

SCHEMBL2175461

Cn1cc(S(N)(=O)=O)c2cccc(Br)c21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.44
CA1 P00915 3/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA9 Q16790 5/20 0.41
CDK2 P24941 1/20 0.40
BRD4 O60885 3/20 0.38
CA12 O43570 2/20 0.38
LDHA P00338 1/20 0.36
FBP1 P09467 1/20 0.35
HTR6 P50406 3/20 0.35
PTGS2 P35354 1/20 0.35
FTO Q9C0B1 1/20 0.34

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
SCHEMBL2174779 0.85 HTR6 (0.37) CA2CA1CA4CA6BRD4
SCHEMBL2087675 0.80 BRD4 (0.48) CA2CA1CA9BRD4CA12
SCHEMBL14854384 0.78 PTGS2 (0.39) BRD4PTGS2
SCHEMBL18508887 0.77 ALDH1A1 (0.38) BRD4PTGS2FTO
SCHEMBL2174952 0.75 CA9 (0.56) CA2CA1CA9BRD4CA12
SCHEMBL27815526 0.75 FBP1 (0.40) CA2CA1CA9CDK2BRD4
SCHEMBL2173879 0.74 CA2 (0.54) CA2CA1CA9CDK2
SCHEMBL2087997 0.73 FBP1 (0.43) CA2CA1CA9BRD4CA12
SCHEMBL18508889 0.72 PTGS2 (0.43) BRD4PTGS2
SCHEMBL2174841 0.72 ADORA3 (0.44) CA2CA1CA4CA9BRD4

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 5 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
CN-101878211-A Aminothiazole derivs HOFFMANN LA ROCHE 2010-11-03 CN 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 1616/4885CA1 3718/4885CA4 2988/4885

“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.