SCHEMBL2176664

SCHEMBL2176664

COc1sc(NC(=O)NS(=O)(=O)c2cn(C)c3c(OCC(N)=O)cccc23)nc1C

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 9/20 0.59
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE10A Q9Y233 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 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
SCHEMBL2926009 0.94 FBP1 (0.61) FBP1RAB9ANPC1MAPTTSHR
SCHEMBL2174020 0.90 FBP1 (0.69) FBP1RAB9ANPC1MAPTTSHR
SCHEMBL2175098 0.83 FBP1 (0.55) FBP1RAB9ANPC1MAPTMEN1
SCHEMBL2174038 0.83 FBP1 (0.80) FBP1
SCHEMBL2932042 0.76 FBP1 (0.82) FBP1
SCHEMBL2175926 0.75 FBP1 (0.81) FBP1RAB9ANPC1ALDH1A1
SCHEMBL2176938 0.74 FBP1 (0.80) FBP1
SCHEMBL2178259 0.74 FBP1 (1.00) FBP1
SCHEMBL3156546 0.73 FBP1 (0.84) FBP1
SCHEMBL2176079 0.73 FBP1 (0.86) FBP1

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-7973051-B2 Aminothiazoles as FBPase inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2011-07-05 US claimed
EP-2227468-A1 AMINOTHIAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-15 EP claimed
US-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US claimed
WO-2009068467-A1 AMINOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 WO claimed
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 1/4885RAB9A 2410/4885NPC1 2662/4885

“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.