SCHEMBL2174577

SCHEMBL2174577

CCc1nc(NC(=O)OC(C)(C)C)sc1SC

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
FBP1 P09467 1/20 0.43
LCK P06239 12/20 0.42
PI4KB Q9UBF8 1/20 0.41
TMIGD3 P0DMS9 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL2174730 0.88 CA1 (0.40) CA1CA2FBP1LCKPI4KB
SCHEMBL7691178 0.81 LCK (0.47) CA1CA2LCKPI4KB
SCHEMBL2929059 0.81 FBP1 (0.51) FBP1TMIGD3ADORA1
SCHEMBL19371347 0.77 LCK (0.47) CA1CA2LCKPI4KB
SCHEMBL4257610 0.76 CA1 (0.41) CA1CA2LCKPI4KB
SCHEMBL9225190 0.74 LCK (0.49) CA1CA2LCKPI4KB
SCHEMBL2174374 0.74 LCK (0.52) CA1CA2FBP1LCKPI4KB
SCHEMBL3509100 0.73 LCK (0.46) CA1CA2LCKPI4KB
SCHEMBL31661298 0.73 LCK (0.46) CA1CA2LCKPI4KB
SCHEMBL31661308 0.73 LCK (0.46) CA1CA2LCKPI4KB

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 CA1 3718/4885CA2 1616/4885FBP1 1/4885

“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.