SCHEMBL2087148

SCHEMBL2087148

COCCOc1cccc2c(S(=O)(=O)Cl)cn(C)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.43
HTR6 P50406 2/20 0.36
KCNA3 P22001 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM1A O60341 1/20 0.33
EGFR P00533 2/20 0.33
MAPK1 P28482 1/20 0.32
BLM P54132 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
BRD4 O60885 2/20 0.32
CNR2 P34972 1/20 0.32
BRDT Q58F21 1/20 0.32
HASPIN Q8TF76 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
SCHEMBL2087997 0.87 FBP1 (0.43) FBP1HTR6KCNA3ALDH1A1KDM4E
SCHEMBL2174640 0.85 FBP1 (0.44) FBP1HTR6ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2879711 0.85 HTR6 (0.39) FBP1HTR6ALDH1A1TSHRNPSR1
SCHEMBL2088849 0.84 FBP1 (0.47) FBP1HTR6ALDH1A1KDM4EBRD4
SCHEMBL2176450 0.81 MAPT (0.43) FBP1HTR6ALDH1A1SMN1; SMN2MAPK1
SCHEMBL2088864 0.78 FBP1 (0.40) FBP1HTR6ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2175689 0.77 KDM4E (0.44) FBP1ALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL27815525 0.76 SLC22A6 (0.41) FBP1HTR6ALDH1A1KDM4ETSHR
SCHEMBL2176670 0.73 FBP1 (0.44) FBP1ALDH1A1KDM4ESMN1; SMN2CYP2C19
SCHEMBL2174779 0.72 HTR6 (0.37) FBP1HTR6NPSR1BRD4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163778-B2 Pyridines as FBPase inhibitors for treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
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
EP-2227452-A2 PYRIDINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
WO-2009068468-A2 PYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 WO disclosed
US-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US disclosed
US-20090143439-A1 NEW PYRIDINES AS FBPASE INHIBITORS FOR TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 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 (2 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-20090143439-A1 NEW PYRIDINES AS FBPASE INHIBITORS FOR TREATMENT OF DIABETES FBP1, PDXK, G6PC1 FBP1 1/4885HTR6 3238/4885KCNA3 2880/4885
US-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES FBP1, SLC5A1, DPP4 FBP1 1/4885HTR6 3347/4885KCNA3 3211/4885

“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.