SCHEMBL5745876

SCHEMBL5745876

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFPT1 Q06210 1/20 0.51
FOS P01100 1/20 0.48
JUN P05412 1/20 0.48
NR1H4 Q96RI1 3/20 0.46
DHODH Q02127 1/20 0.43
KAT6A Q92794 1/20 0.41
BRAF P15056 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
PDE10A Q9Y233 1/20 0.39
APAF1 O14727 1/20 0.39
NSD2 O96028 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.39
FABP1 P07148 1/20 0.39
MAPT P10636 1/20 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
SCHEMBL5744593 0.89 GFPT1 (0.60) GFPT1PDE10AAPAF1NSD2CASP3
SCHEMBL5744619 0.89 GFPT1 (0.49) GFPT1NR1H4KAT6ABRAFPDE10A
SCHEMBL5743882 0.88 GFPT1 (0.49) GFPT1PDE10AAPAF1NSD2CASP3
SCHEMBL5745432 0.88 LMNA (0.48) GFPT1PDE10AAPAF1NSD2CASP3
SCHEMBL5746001 0.88 GFPT1 (0.52) GFPT1PDE10AAPAF1NSD2CASP3
SCHEMBL5745909 0.87 GFPT1 (0.52) GFPT1PDE10AAPAF1NSD2CASP3
SCHEMBL5746006 0.87 GFPT1 (0.47) GFPT1PDE10AAPAF1NSD2CASP3
SCHEMBL5744311 0.86 GFPT1 (0.54) GFPT1NR1H4BRAFL3MBTL1ALDH1A1
SCHEMBL5743533 0.86 PLA2G4B (0.47) GFPT1NR1H4DHODHALDH1A1KDM4E
Hydrochloric Acid SCHEMBL5745250 0.85 GFPT1 (0.53) GFPT1NR1H4BRAFL3MBTL1ALDH1A1

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 1/4885FOS 936/4885JUN 1399/4885

“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.