SCHEMBL2088554

SCHEMBL2088554

CNC(=O)Nc1cc(OC)cc(NC(=O)NS(=O)(=O)c2cc3cccc(OCCOC)c3n2C)n1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 7/20 0.49
CREBBP Q92793 1/20 0.49
GCK P35557 7/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PIK3CG P48736 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
SCHEMBL2088174 0.72 FBP1 (0.60) FBP1CREBBPGCKKDM4EALDH1A1
SCHEMBL2087072 0.71 FBP1 (0.50) FBP1CREBBPGCK
SCHEMBL2091223 0.71 FBP1 (0.75) FBP1CREBBP
SCHEMBL2175623 0.70 FBP1 (0.66) FBP1
SCHEMBL2088044 0.69 FBP1 (0.53) FBP1CREBBPKDM4E
SCHEMBL2089798 0.66 FBP1 (1.00) FBP1CREBBP
SCHEMBL11190999 0.65 GAA (0.56) KDM4EALDH1A1
SCHEMBL11088165 0.65 GAA (0.40) GCKKDM4EALDH1A1L3MBTL1
SCHEMBL2087276 0.64 FBP1 (0.55) FBP1CREBBPKDM4EALDH1A1L3MBTL1
SCHEMBL2087977 0.64 FBP1 (0.61) FBP1CREBBPKDM4EALDH1A1

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 6 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 claimed
US-20090143439-A1 NEW PYRIDINES AS FBPASE INHIBITORS FOR TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2009-06-04 US claimed
US-8163778-B2 Pyridines as FBPase inhibitors for treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US 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-20090143439-A1 NEW PYRIDINES AS FBPASE INHIBITORS FOR TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2009-06-04 US 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-20090143439-A1 NEW PYRIDINES AS FBPASE INHIBITORS FOR TREATMENT OF DIABETES FBP1, PDXK, G6PC1 FBP1 1/4885CREBBP 642/4885GCK 24/4885

“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.