SCHEMBL5768599

SCHEMBL5768599

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFPT1 Q06210 1/20 0.61
▸ MET P08581 1/20 0.38
▸ MAPK7 Q13164 2/20 0.38
▸ PDE10A Q9Y233 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ APAF1 O14727 1/20 0.37
▸ NSD2 O96028 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ LPAR5 Q9H1C0 1/20 0.37
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35
▸ TUBA3C P0DPH7 1/20 0.35
▸ TUBA1B P68363 1/20 0.35
▸ TUBA4A P68366 1/20 0.35
▸ TUBB4B P68371 1/20 0.35
▸ TUBB3 Q13509 1/20 0.35
▸ TUBB2A Q13885 1/20 0.35

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
SCHEMBL5766127 0.93 GFPT1 (0.56) GFPT1METMAPK7NSD2LPAR5
SCHEMBL5768004 0.87 GFPT1 (0.49) GFPT1METMAPK7PDE10AL3MBTL1
Trifluoroacetic Acid SCHEMBL5768592 0.87 GFPT1 (0.63) GFPT1METMAPK7PDE10AL3MBTL1
SCHEMBL5744593 0.85 GFPT1 (0.60) GFPT1PDE10AL3MBTL1APAF1NSD2
Trifluoroacetic Acid SCHEMBL6108761 0.85 GFPT1 (0.61) GFPT1PDE10AL3MBTL1APAF1NSD2
SCHEMBL6109826 0.85 GFPT1 (0.46) GFPT1MAPK7PDE10AAPAF1NSD2
SCHEMBL5745115 0.85 GFPT1 (0.58) GFPT1MEN1KMT2A
SCHEMBL6108471 0.84 GFPT1 (0.68) GFPT1METMAPK7PDE10AL3MBTL1
SCHEMBL6110096 0.84 GFPT1 (0.59) GFPT1METPDE10AL3MBTL1APAF1
SCHEMBL6109223 0.84 GFPT1 (0.43) GFPT1MAPK7PDE10AL3MBTL1APAF1

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 1/4885MET 2629/4885MAPK7 2022/4885

“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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