SCHEMBL2177271

SCHEMBL2177271

CCOC(=O)COc1cccc2c(S(N)(=O)=O)cn(C)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
F9 P00740 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
CASP9 P55211 1/20 0.41
USP2 O75604 1/20 0.41
PTPN1 P18031 1/20 0.41
FBP1 P09467 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 2/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL2175689 0.89 KDM4E (0.44) KDM4EF9CASP3CASP7CASP9
SCHEMBL2088016 0.85 FBP1 (0.40) KDM4ECA2FBP1MEN1KMT2A
SCHEMBL2176670 0.81 FBP1 (0.44) KDM4ECA12CA1CA2CA9
SCHEMBL2087997 0.77 FBP1 (0.43) KDM4ECA12CA1CA2CA9
SCHEMBL2174841 0.76 ADORA3 (0.44) CA12CA1CA2CA9FBP1
SCHEMBL2087675 0.76 BRD4 (0.48) KDM4ECA12CA1CA2CA9
SCHEMBL2088864 0.74 FBP1 (0.40) KDM4EFBP1MEN1KMT2ANPSR1
SCHEMBL2174846 0.72 KDM4E (0.47) KDM4EF9CASP3CASP7CASP9
SCHEMBL31505086 0.72 KDM4E (0.47) KDM4EF9CASP3CASP7CASP9
SCHEMBL2174952 0.69 CA9 (0.56) KDM4ECA12CA1CA2CA9

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 KDM4E 1420/4885F9 2462/4885CA12 4148/4885

“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.