SCHEMBL5745119

SCHEMBL5745119

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFPT1 Q06210 1/20 0.44
VNN1 O95497 3/20 0.40
CYP1A2 P05177 1/20 0.40
MCHR1 Q99705 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
PDE10A Q9Y233 2/20 0.39
CYP2C8 P10632 1/20 0.38
PDGFRB P09619 1/20 0.37
FLT4 P35916 1/20 0.37
LTC4S Q16873 1/20 0.37
APAF1 O14727 1/20 0.36
NSD2 O96028 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5744472 0.94 GFPT1 (0.42) GFPT1L3MBTL1NPC1MEN1KMT2A
Hydrochloric Acid SCHEMBL5745471 0.93 GFPT1 (0.41) GFPT1L3MBTL1NPC1MEN1KMT2A
SCHEMBL5745176 0.90 GFPT1 (0.45) GFPT1VNN1CYP1A2MCHR1MAPK13
SCHEMBL5742428 0.90 GFPT1 (0.45) GFPT1VNN1CYP1A2MCHR1MAPK13
SCHEMBL5744909 0.89 GFPT1 (0.46) GFPT1VNN1CYP1A2MCHR1MAPK13
SCHEMBL5743882 0.88 GFPT1 (0.49) GFPT1VNN1CYP1A2MAPK13MAPK12
SCHEMBL5742296 0.86 GFPT1 (0.45) GFPT1VNN1MCHR1MAPK13MAPK12
SCHEMBL5744347 0.85 VNN1 (0.49) GFPT1VNN1CYP1A2MAPK13MAPK12
SCHEMBL5743070 0.85 VNN1 (0.49) GFPT1VNN1CYP1A2MAPK13MAPK12
SCHEMBL5744740 0.84 GFPT1 (0.45) GFPT1VNN1CYP1A2MAPK13MAPK12

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 1/4885VNN1 2430/4885CYP1A2 1251/4885

“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.