SCHEMBL5746006

SCHEMBL5746006

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFPT1 Q06210 1/20 0.47
KMT2A Q03164 1/20 0.43
CYP2C8 P10632 1/20 0.42
AURKB Q96GD4 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
PDE10A Q9Y233 1/20 0.40
APAF1 O14727 1/20 0.40
NSD2 O96028 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
VNN1 O95497 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
PPARD Q03181 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
EGFR P00533 2/20 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
SCHEMBL5744909 0.94 GFPT1 (0.46) GFPT1CYP2C8AURKBIRAK4L3MBTL1
SCHEMBL5744647 0.93 GFPT1 (0.44) GFPT1KMT2ACYP2C8AURKBIRAK4
SCHEMBL5743533 0.91 PLA2G4B (0.47) GFPT1KMT2A
SCHEMBL5744619 0.89 GFPT1 (0.49) GFPT1KMT2AL3MBTL1PDE10AAPAF1
SCHEMBL5743882 0.89 GFPT1 (0.49) GFPT1CYP2C8L3MBTL1PDE10AAPAF1
SCHEMBL5745432 0.88 LMNA (0.48) GFPT1KMT2AAURKBL3MBTL1PDE10A
SCHEMBL5744659 0.87 GFPT1 (0.44) GFPT1KMT2AL3MBTL1PDE10AAPAF1
SCHEMBL5745876 0.87 GFPT1 (0.51) GFPT1L3MBTL1PDE10AAPAF1NSD2
SCHEMBL5744091 0.86 GFPT1 (0.55) GFPT1CYP2C8AURKBIRAK4L3MBTL1
SCHEMBL5744593 0.85 GFPT1 (0.60) GFPT1KMT2ACYP2C8L3MBTL1PDE10A

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 8 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
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 1/4885KMT2A 710/4885CYP2C8 1784/4885

“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.