SCHEMBL2087072

SCHEMBL2087072

CNC(=O)Nc1cc(OC)cc(NC(=O)NS(=O)(=O)c2cn(C)c3c(OCC(=O)N(C)C)cccc23)n1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 7/20 0.50
CREBBP Q92793 1/20 0.42
POLB P06746 1/20 0.36
GCK P35557 2/20 0.32
RAPGEF3 O95398 1/20 0.32
PTGER3 P43115 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MET P08581 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
SCHEMBL2088174 0.88 FBP1 (0.60) FBP1CREBBPGCKNPC1RAB9A
SCHEMBL2088864 0.73 FBP1 (0.40) FBP1POLB
SCHEMBL2088016 0.73 FBP1 (0.40) FBP1POLB
SCHEMBL2926009 0.72 FBP1 (0.61) FBP1NPC1RAB9A
SCHEMBL2088554 0.71 FBP1 (0.49) FBP1CREBBPGCK
SCHEMBL2088752 0.71 FBP1 (0.56) FBP1POLBNPC1RAB9A
SCHEMBL2176664 0.70 FBP1 (0.59) FBP1NPC1RAB9A
SCHEMBL2932042 0.68 FBP1 (0.82) FBP1
SCHEMBL2175926 0.68 FBP1 (0.81) FBP1NPC1RAB9A
SCHEMBL3156546 0.67 FBP1 (0.84) 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 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 642/4885POLB 3488/4885

“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.