SCHEMBL2174730

SCHEMBL2174730

COCc1nc(NC(=O)OC(C)(C)C)sc1SC

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LCK P06239 12/20 0.40
PI4KB Q9UBF8 1/20 0.39
TMIGD3 P0DMS9 1/20 0.36
ADORA1 P30542 1/20 0.36
FBP1 P09467 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
SCHEMBL2174577 0.88 CA1 (0.43) CA1CA2LCKPI4KBTMIGD3
SCHEMBL1741900 0.82 LCK (0.45) CA1CA2LCKPI4KB
SCHEMBL9225190 0.74 LCK (0.49) CA1CA2LCKPI4KB
SCHEMBL4294152 0.74 CA1 (0.36) CA1CA2LCKPI4KB
SCHEMBL24434724 0.74 NPC1 (0.55) CA1CA2LCKPI4KB
SCHEMBL3509100 0.73 LCK (0.46) CA1CA2LCKPI4KB
SCHEMBL7691178 0.72 LCK (0.47) CA1CA2LCKPI4KB
SCHEMBL7424452 0.72 LCK (0.44) CA1CA2LCKPI4KB
SCHEMBL19371347 0.72 LCK (0.47) CA1CA2LCKPI4KB
SCHEMBL27879248 0.71 SMN1; SMN2 (0.61) CA1CA2

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 1616/4885LCK 3717/4885

“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.