SCHEMBL2175689

SCHEMBL2175689

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
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
F9 P00740 1/20 0.40
FBP1 P09467 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.39
NPC1 O15118 2/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
TLR9 Q9NR96 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
SCHEMBL2177271 0.89 KDM4E (0.47) KDM4ECASP3CASP7CASP9USP2
SCHEMBL2088864 0.85 FBP1 (0.40) KDM4EFBP1NPSR1ALDH1A1HPGD
SCHEMBL2174640 0.81 FBP1 (0.44) KDM4EFBP1LMNAALDH1A1HPGD
SCHEMBL15819886 0.78 USP2 (0.53) KDM4ECASP3CASP7CASP9USP2
SCHEMBL2087148 0.77 FBP1 (0.43) KDM4EFBP1NPSR1ALDH1A1MAPK1
SCHEMBL2176450 0.76 MAPT (0.43) FBP1NPC1ALDH1A1MAPTHPGD
SCHEMBL2088849 0.76 FBP1 (0.47) KDM4ECASP7FBP1GAAALDH1A1
SCHEMBL2088016 0.74 FBP1 (0.40) KDM4EFBP1NPSR1ALDH1A1HPGD
SCHEMBL8754853 0.72 USP2 (0.56) KDM4ECASP3CASP7CASP9USP2
SCHEMBL2174846 0.72 KDM4E (0.47) KDM4ECASP3CASP7CASP9USP2

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 1420/4885CASP3 3309/4885CASP7 3942/4885

“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.