SCHEMBL5744909

SCHEMBL5744909

COc1cccc(C(=O)c2ncc(C(=O)O)c3cc(OC)c(OCCO)cc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFPT1 Q06210 1/20 0.46
CYP2C8 P10632 1/20 0.45
AURKB Q96GD4 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
VNN1 O95497 3/20 0.42
CYP1A2 P05177 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDE10A Q9Y233 2/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
HTR2A P28223 1/20 0.40
PDGFRB P09619 1/20 0.39
FLT4 P35916 1/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL5746006 0.94 GFPT1 (0.47) GFPT1CYP2C8AURKBIRAK4VNN1
SCHEMBL5744647 0.93 GFPT1 (0.44) GFPT1CYP2C8AURKBIRAK4L3MBTL1
SCHEMBL5743882 0.92 GFPT1 (0.49) GFPT1CYP2C8VNN1CYP1A2L3MBTL1
SCHEMBL5745176 0.91 GFPT1 (0.45) GFPT1VNN1CYP1A2PDE10AMAPK13
SCHEMBL5742428 0.91 GFPT1 (0.45) GFPT1VNN1CYP1A2PDE10AMAPK13
SCHEMBL5745119 0.89 GFPT1 (0.44) GFPT1CYP2C8VNN1CYP1A2L3MBTL1
SCHEMBL5744347 0.88 VNN1 (0.49) GFPT1VNN1CYP1A2MAPK13MAPK12
SCHEMBL5743070 0.88 VNN1 (0.49) GFPT1VNN1CYP1A2MAPK13MAPK12
SCHEMBL5744091 0.88 GFPT1 (0.55) GFPT1CYP2C8AURKBIRAK4VNN1
SCHEMBL5744740 0.87 GFPT1 (0.45) GFPT1CYP2C8AURKBVNN1CYP1A2

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-7067529-B2 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors HOFFMANN-LA ROCHE INC. (US) 2006-06-27 US claimed
EP-1631551-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE AS GFAT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-08 EP claimed
US-20040259910-A1 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors BOLIN DAVID ROBERT (US) 2004-12-23 US claimed
WO-2004101528-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE AS GFAT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 WO claimed
US-7067529-B2 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors HOFFMANN-LA ROCHE INC. (US) 2006-06-27 US disclosed
EP-1631551-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE AS GFAT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-08 EP disclosed
US-20040259910-A1 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors BOLIN DAVID ROBERT (US) 2004-12-23 US disclosed
WO-2004101528-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE AS GFAT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 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-20040259910-A1 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors GFPT1, GLS2, GLS GFPT1 1/4885CYP2C8 1784/4885AURKB 4086/4885

“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.