SCHEMBL6108765

SCHEMBL6108765

COc1cc2c(CNC(=O)C(F)(F)F)cnc(C(=O)c3cccc(OC(C)C)c3)c2cc1OC

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GFPT1 Q06210 1/20 0.77
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
PDGFRB P09619 1/20 0.39
FLT4 P35916 1/20 0.39
DGAT2 Q96PD7 9/20 0.38
PDE10A Q9Y233 2/20 0.38
VNN1 O95497 2/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MET P08581 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL6108973 0.90 GFPT1 (0.73) GFPT1GAAHPGDPDGFRBFLT4
SCHEMBL6107805 0.90 GFPT1 (0.72) GFPT1GAAHPGDPDGFRBFLT4
SCHEMBL6108977 0.88 GFPT1 (0.70) GFPT1GAAHPGDPDGFRBFLT4
SCHEMBL5745996 0.88 GFPT1 (0.69) GFPT1GAAHPGDPDGFRBFLT4
SCHEMBL5809762 0.87 GFPT1 (1.00) GFPT1GAAPDGFRBFLT4DGAT2
Trifluoroacetic Acid SCHEMBL6109077 0.87 GFPT1 (0.68) GFPT1GAAHPGDPDGFRBFLT4
Trifluoroacetic Acid SCHEMBL6111475 0.86 GFPT1 (0.67) GFPT1GAAHPGDDGAT2MEN1
SCHEMBL6108389 0.86 GFPT1 (0.67) GFPT1GAAHPGDPDGFRBFLT4
Trifluoroacetic Acid SCHEMBL6106759 0.85 GFPT1 (0.81) GFPT1PDGFRBFLT4PDE10AVNN1
SCHEMBL6109566 0.85 GFPT1 (0.66) GFPT1GAAHPGDDGAT2MEN1

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 2 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
US-20040259910-A1 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors BOLIN DAVID ROBERT (US) 2004-12-23 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-20040259910-A1 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors GFPT1, GLS2, GLS GFPT1 1/4885GAA 84/4885HPGD 892/4885

“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.