SCHEMBL5744819

SCHEMBL5744819

COc1cc2c(CO)cnc(C(=O)c3cccc(OC(C)C)c3)c2cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFPT1 Q06210 1/20 0.69
▸ DPP4 P27487 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ PDE10A Q9Y233 2/20 0.41
▸ APAF1 O14727 1/20 0.41
▸ NSD2 O96028 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ TUBB4A P04350 1/20 0.39
▸ TUBB P07437 1/20 0.39
▸ TUBA3C P0DPH7 1/20 0.39
▸ TUBA1B P68363 1/20 0.39
▸ TUBA4A P68366 1/20 0.39
▸ TUBB4B P68371 1/20 0.39
▸ TUBB3 Q13509 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
SCHEMBL5743440 0.91 GFPT1 (0.58) GFPT1DPP4L3MBTL1PDE10AAPAF1
SCHEMBL5745274 0.91 GFPT1 (0.68) GFPT1DPP4L3MBTL1PDE10AAPAF1
SCHEMBL1366610 0.90 GFPT1 (0.67) GFPT1PTGDR2
Hydrochloric Acid SCHEMBL5742666 0.90 GFPT1 (0.67) GFPT1DPP4L3MBTL1PDE10AAPAF1
SCHEMBL1367662 0.89 GFPT1 (0.66) GFPT1DPP4L3MBTL1PDE10AAPAF1
SCHEMBL5745096 0.89 GFPT1 (0.66) GFPT1L3MBTL1PDE10AAPAF1NSD2
SCHEMBL5742886 0.88 GFPT1 (0.65) GFPT1DPP4L3MBTL1PDE10AAPAF1
SCHEMBL5744435 0.87 GFPT1 (0.64) GFPT1DPP4L3MBTL1PDE10AAPAF1
SCHEMBL5746122 0.87 GFPT1 (0.67) GFPT1DPP4L3MBTL1PDE10AAPAF1
SCHEMBL6107805 0.87 GFPT1 (0.72) GFPT1L3MBTL1PDE10AAPAF1NSD2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100540537-C GFAT inhibitors HOFFMANN LA ROCHE (CH) 2009-09-16 — — CN claimed
US-7067529-B2 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors HOFFMANN-LA ROCHE INC. (US) 2006-06-27 — — US claimed
CN-1791581-A Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors HOFFMANN LA ROCHE (CH) 2006-06-21 — — CN 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
CN-100540537-C GFAT inhibitors HOFFMANN LA ROCHE (CH) 2009-09-16 — — CN disclosed
US-7067529-B2 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors HOFFMANN-LA ROCHE INC. (US) 2006-06-27 — — US disclosed
CN-1791581-A Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors HOFFMANN LA ROCHE (CH) 2006-06-21 — — CN 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 1/4885DPP4 134/4885L3MBTL1 3203/4885

“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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