SCHEMBL2088752

SCHEMBL2088752

COc1cccc2c(S(=O)(=O)NC(=O)Nc3cc(SC)cc(N)n3)cn(C)c12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 8/20 0.56
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
AGER Q15109 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 2/20 0.33
HTR6 P50406 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EGFR P00533 1/20 0.32
SRC P12931 1/20 0.32
CA9 Q16790 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 0.81 FBP1 (0.60) FBP1MAPTNPC1RAB9AGAA
SCHEMBL2174020 0.73 FBP1 (0.69) FBP1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2175926 0.72 FBP1 (0.81) FBP1NPC1RAB9AALDH1A1
SCHEMBL2178259 0.71 FBP1 (1.00) FBP1
SCHEMBL2087072 0.71 FBP1 (0.50) FBP1NPC1RAB9APOLB
SCHEMBL2087048 0.68 FBP1 (0.45) FBP1GAAKDM4EALDH1A1CA9
SCHEMBL2088872 0.67 FBP1 (0.50) FBP1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2176664 0.67 FBP1 (0.59) FBP1MAPTNPC1RAB9AKDM4E
SCHEMBL2087675 0.66 BRD4 (0.48) FBP1MAPTGAAHTR6KDM4E
SCHEMBL2926009 0.66 FBP1 (0.61) FBP1MAPTNPC1RAB9AKDM4E

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 1/4885MAPT 2224/4885NPC1 2234/4885

“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.