SCHEMBL2176670

SCHEMBL2176670

CC(=O)OCCOc1cccc2c(S(N)(=O)=O)cn(C)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.44
TDP1 Q9NUW8 2/20 0.37
THRB P10828 1/20 0.37
CA2 P00918 3/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
MCL1 Q07820 2/20 0.34
NR2F2 P24468 1/20 0.34
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
BRD4 O60885 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL2174640 0.88 FBP1 (0.44) FBP1TDP1THRBKDM4EALDH1A1
SCHEMBL2087997 0.85 FBP1 (0.43) FBP1CA2KDM4EALDH1A1SMN1; SMN2
SCHEMBL27815526 0.83 FBP1 (0.40) FBP1TDP1CA2KDM4EALDH1A1
SCHEMBL2177271 0.81 KDM4E (0.47) FBP1CA2KDM4EALDH1A1LMNA
SCHEMBL2088016 0.79 FBP1 (0.40) FBP1TDP1CA2KDM4EALDH1A1
SCHEMBL2174841 0.77 ADORA3 (0.44) FBP1TDP1CA2SMN1; SMN2BRD4
SCHEMBL2087675 0.77 BRD4 (0.48) FBP1CA2KDM4EALDH1A1HPGD
SCHEMBL2176373 0.74 FBP1 (0.83) FBP1
SCHEMBL2175117 0.74 FBP1 (0.67) FBP1
SCHEMBL2087148 0.73 FBP1 (0.43) FBP1TDP1KDM4EALDH1A1SMN1; SMN2

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 FBP1 1/4885TDP1 1439/4885THRB 892/4885

“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.