SCHEMBL5744091

SCHEMBL5744091

COc1cc2c(C(=O)c3cccc(OC(C)C)c3)ncc(C(=O)O)c2cc1OCCCO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFPT1 Q06210 1/20 0.55
PDGFRB P09619 3/20 0.43
NSD2 O96028 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AURKB Q96GD4 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
MCHR1 Q99705 3/20 0.37
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
PDE10A Q9Y233 1/20 0.36
APAF1 O14727 1/20 0.36
CASP3 P42574 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 SCHEMBL5766123 0.96 GFPT1 (0.57) GFPT1PDGFRBNSD2KDM4EALDH1A1
SCHEMBL5744593 0.92 GFPT1 (0.60) GFPT1NSD2KDM4EALDH1A1SMN1; SMN2
SCHEMBL5744916 0.90 GFPT1 (0.52) GFPT1PDGFRB
SCHEMBL5743512 0.89 GFPT1 (0.56) GFPT1NSD2KDM4EALDH1A1SMN1; SMN2
SCHEMBL5744909 0.88 GFPT1 (0.46) GFPT1PDGFRBNSD2AURKBIRAK4
SCHEMBL5766127 0.87 GFPT1 (0.56) GFPT1PDGFRBNSD2KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL5768592 0.87 GFPT1 (0.63) GFPT1NSD2LPAR5PDE10AAPAF1
SCHEMBL6108733 0.86 GFPT1 (0.51) GFPT1PDGFRBAURKBMCHR1LPAR5
SCHEMBL5746006 0.86 GFPT1 (0.47) GFPT1NSD2AURKBIRAK4PDE10A
Hydrochloric Acid SCHEMBL5745044 0.86 GFPT1 (0.50) GFPT1PDGFRBAURKBMCHR1LPAR5

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 1/4885PDGFRB 1671/4885NSD2 2725/4885

“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.