SCHEMBL2176516

SCHEMBL2176516

COc1sc(NC(=O)NS(=O)(=O)c2csc(C)c2)nc1C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 13/20 0.47
TASP1 Q9H6P5 1/20 0.39
GAA P10253 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL2177646 0.88 FBP1 (0.61) FBP1TASP1GAAMEN1KMT2A
SCHEMBL958561 0.81 FBP1 (0.60) FBP1GAA
SCHEMBL2174443 0.78 FBP1 (0.47) FBP1TASP1CA1CA2
SCHEMBL2175111 0.76 FBP1 (0.48) FBP1TASP1CA1CA2MEN1
SCHEMBL2087732 0.75 FBP1 (0.56) FBP1GAAMEN1KMT2AALDH1A1
SCHEMBL2174619 0.75 TASP1 (0.55) TASP1MEN1KMT2AALDH1A1CYP2C9
SCHEMBL2173747 0.74 FBP1 (0.46) FBP1TASP1CA1CA2
SCHEMBL2088888 0.73 FBP1 (0.47) FBP1GAACA1CA2MEN1
SCHEMBL2174758 0.72 FBP1 (0.76) FBP1
SCHEMBL2174771 0.72 ALDH1A1 (0.53) FBP1TASP1GAAMEN1KMT2A

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 8 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 claimed
EP-2227468-A1 AMINOTHIAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-15 EP claimed
US-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US claimed
WO-2009068467-A1 AMINOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 WO claimed
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 FBP1 1/4885TASP1 52/4885GAA 378/4885

“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.