SCHEMBL5768004

SCHEMBL5768004

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFPT1 Q06210 1/20 0.49
▸ LMNA P02545 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ VNN1 O95497 2/20 0.37
▸ MAPK7 Q13164 1/20 0.37
▸ MAPK13 O15264 1/20 0.36
▸ MAPK12 P53778 1/20 0.36
▸ MAPK11 Q15759 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ NR1H2 P55055 2/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ PDE10A Q9Y233 3/20 0.36
▸ APAF1 O14727 1/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 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
Trifluoroacetic Acid SCHEMBL5767994 0.88 GFPT1 (0.51) GFPT1LMNAPKMHTTPTPN1
SCHEMBL5809784 0.87 GFPT1 (0.45) GFPT1MAPK7L3MBTL1MEN1KMT2A
SCHEMBL5768599 0.87 GFPT1 (0.61) GFPT1HTTVNN1MAPK7MAPK13
SCHEMBL5745432 0.86 LMNA (0.48) GFPT1LMNAPKMHTTPTPN1
SCHEMBL5744135 0.86 DPP4 (0.50) GFPT1LMNAPKMHTTMEN1
SCHEMBL5763827 0.86 GAA (0.49) GFPT1MAPK7L3MBTL1MEN1KMT2A
SCHEMBL6107674 0.85 MAPT (0.45) GFPT1KMT2AKDM4E
SCHEMBL5767578 0.84 ALDH1A1 (0.48) GFPT1LMNAHTTPTPN1MEN1
SCHEMBL6109223 0.82 GFPT1 (0.43) GFPT1MAPK7MAPK13MAPK12MAPK11
SCHEMBL5766127 0.82 GFPT1 (0.56) GFPT1MAPK7NSD2AURKBMET

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 1/4885LMNA 4843/4885PKM 887/4885

“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.

Send feedback