SCHEMBL5763827

SCHEMBL5763827

COc1cc2c(C(=O)OC(=O)C(F)(F)F)cnc(C(=O)c3cccc(OCC(=O)N4CCN(C)CC4)c3)c2cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.49
▸ GFPT1 Q06210 1/20 0.43
▸ IDE P14735 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HTR1A P08908 4/20 0.42
▸ HTR1D P28221 4/20 0.42
▸ HTR1B P28222 4/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CBX7 O95931 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAPK7 Q13164 1/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ENPP2 Q13822 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL5809784 0.94 GFPT1 (0.45) GAAGFPT1IDESMN1; SMN2KMT2A
SCHEMBL6107674 0.92 MAPT (0.45) GAAGFPT1IDESMN1; SMN2KMT2A
SCHEMBL5767578 0.90 ALDH1A1 (0.48) GAAGFPT1IDESMN1; SMN2KMT2A
Trifluoroacetic Acid SCHEMBL5763821 0.89 GAA (0.51) GAAGFPT1IDESMN1; SMN2HTR1A
SCHEMBL5744564 0.88 GAA (0.55) GAAGFPT1SMN1; SMN2HTR1AHTR1D
SCHEMBL5768004 0.86 GFPT1 (0.49) GFPT1KMT2AMEN1L3MBTL1MAPK7
Trifluoroacetic Acid SCHEMBL5809778 0.82 GFPT1 (0.46) GAAGFPT1IDESMN1; SMN2KMT2A
SCHEMBL5765120 0.81 MEN1 (0.45) GAAGFPT1SMN1; SMN2KMT2AMEN1
SCHEMBL5768599 0.81 GFPT1 (0.61) GAAGFPT1KMT2AMEN1L3MBTL1
SCHEMBL5765831 0.80 GFPT1 (0.39) GFPT1SMN1; SMN2POLBL3MBTL1TDP1

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 GAA 84/4885GFPT1 1/4885IDE 663/4885

“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.

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