SCHEMBL2174640

SCHEMBL2174640

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.44
TDP1 Q9NUW8 2/20 0.37
THRB P10828 1/20 0.37
MCL1 Q07820 6/20 0.34
NR2F2 P24468 1/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
RAD52 P43351 1/20 0.33
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL2176670 0.88 FBP1 (0.44) FBP1TDP1THRBMCL1NR2F2
SCHEMBL2087148 0.85 FBP1 (0.43) FBP1TDP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL27815525 0.83 SLC22A6 (0.41) FBP1TDP1ALDH1A1KDM4EKMT2A
SCHEMBL2175689 0.81 KDM4E (0.44) FBP1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL2088864 0.79 FBP1 (0.40) FBP1TDP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2176450 0.77 MAPT (0.43) FBP1TDP1ALDH1A1SMN1; SMN2HPGD
SCHEMBL2088849 0.77 FBP1 (0.47) FBP1ALDH1A1KDM4EHPGDHTR6
SCHEMBL2176373 0.74 FBP1 (0.83) FBP1
SCHEMBL2175117 0.74 FBP1 (0.67) FBP1
SCHEMBL2087997 0.73 FBP1 (0.43) FBP1ALDH1A1SMN1; SMN2KDM4EKMT2A

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.