SCHEMBL5746285

SCHEMBL5746285

COc1cc2c(CNC(=O)OC(C)(C)C)cnc(Cc3cccc(OC(C)C)c3)c2cc1OC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GFPT1 Q06210 1/20 0.48
DHFR P00374 1/20 0.42
GFER P55789 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE10A Q9Y233 11/20 0.38
TRPV1 Q8NER1 1/20 0.38
ABCB1 P08183 1/20 0.36
PDGFRB P09619 1/20 0.36
FLT4 P35916 1/20 0.36
DYRK1A Q13627 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL6110619 0.92 GFPT1 (0.41) GFPT1GFERHSD17B10L3MBTL1PDE10A
SCHEMBL5745996 0.83 GFPT1 (0.69) GFPT1GFERHSD17B10L3MBTL1PDE10A
SCHEMBL5745483 0.82 DPP4 (0.53) GFPT1DHFRPDE10A
SCHEMBL5743415 0.80 DHFR (0.50) GFPT1DHFRPDE10ARAB9A
SCHEMBL5743598 0.77 DHFR (0.44) GFPT1DHFRPDE10ARAB9A
SCHEMBL6108666 0.76 GFPT1 (0.59) GFPT1GFERHSD17B10L3MBTL1PDE10A
SCHEMBL3363185 0.74 NAMPT (0.39) HSD17B10L3MBTL1ABCB1
SCHEMBL5743426 0.74 DPP4 (0.48) GFPT1PDE10A
SCHEMBL3361880 0.74 DPP4 (0.47) PDE10A
SCHEMBL5743621 0.74 DPP4 (0.60)

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 4 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 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 1/4885DHFR 674/4885GFER 564/4885

“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.