SCHEMBL5744593

SCHEMBL5744593

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFPT1 Q06210 1/20 0.60
NSD2 O96028 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PDE10A Q9Y233 2/20 0.41
APAF1 O14727 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
LPAR5 Q9H1C0 1/20 0.41
CYP1A2 P05177 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
EGFR P00533 2/20 0.39
XDH P47989 1/20 0.39
ERBB2 P04626 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 3/20 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
Trifluoroacetic Acid SCHEMBL5768592 0.95 GFPT1 (0.63) GFPT1NSD2L3MBTL1PDE10AAPAF1
SCHEMBL5743512 0.93 GFPT1 (0.56) GFPT1NSD2L3MBTL1PDE10AAPAF1
SCHEMBL5746001 0.93 GFPT1 (0.52) GFPT1NSD2L3MBTL1PDE10AAPAF1
SCHEMBL5744091 0.92 GFPT1 (0.55) GFPT1NSD2L3MBTL1PDE10AAPAF1
SCHEMBL5744311 0.91 GFPT1 (0.54) GFPT1L3MBTL1XDHMEN1KMT2A
SCHEMBL5743882 0.91 GFPT1 (0.49) GFPT1NSD2L3MBTL1PDE10AAPAF1
SCHEMBL6110096 0.90 GFPT1 (0.59) GFPT1NSD2L3MBTL1PDE10AAPAF1
Hydrochloric Acid SCHEMBL5745250 0.90 GFPT1 (0.53) GFPT1L3MBTL1XDHMEN1KMT2A
SCHEMBL5745909 0.90 GFPT1 (0.52) GFPT1NSD2L3MBTL1PDE10AAPAF1
SCHEMBL5745876 0.89 GFPT1 (0.51) GFPT1NSD2L3MBTL1PDE10AAPAF1

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 10 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 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 1/4885NSD2 2725/4885L3MBTL1 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.