SCHEMBL2087997

SCHEMBL2087997

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.43
BRD4 O60885 3/20 0.38
HTR6 P50406 1/20 0.36
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 4/20 0.34
CA12 O43570 3/20 0.34
KCNA3 P22001 1/20 0.34
HASPIN Q8TF76 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BRDT Q58F21 1/20 0.34
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM1A O60341 1/20 0.33
EGFR P00533 1/20 0.33
KMT2A Q03164 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
SCHEMBL2087148 0.87 FBP1 (0.43) FBP1BRD4HTR6KCNA3HASPIN
SCHEMBL2176670 0.85 FBP1 (0.44) FBP1BRD4CA1CA2CA9
SCHEMBL2087675 0.84 BRD4 (0.48) FBP1BRD4HTR6CA1CA2
SCHEMBL2174841 0.81 ADORA3 (0.44) FBP1BRD4HTR6CA1CA2
SCHEMBL2088016 0.78 FBP1 (0.40) FBP1HTR6CA2KDM4EALDH1A1
SCHEMBL2177271 0.77 KDM4E (0.47) FBP1CA1CA2CA9CA12
SCHEMBL27815526 0.76 FBP1 (0.40) FBP1BRD4CA1CA2CA9
SCHEMBL9711181 0.74 CA1 (0.44) CA1CA2CA9CA12KDM4E
SCHEMBL2174640 0.73 FBP1 (0.44) FBP1HTR6KDM4EALDH1A1SMN1; SMN2
SCHEMBL2175461 0.73 CA2 (0.44) FBP1BRD4HTR6CA1CA2

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 1/4885BRD4 674/4885HTR6 3238/4885
US-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES FBP1, SLC5A1, DPP4 FBP1 1/4885BRD4 1000/4885HTR6 3347/4885

“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.