SCHEMBL5742886

SCHEMBL5742886

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFPT1 Q06210 1/20 0.65
FOS P01100 2/20 0.48
JUN P05412 2/20 0.48
S1PR1 P21453 2/20 0.42
DPP4 P27487 1/20 0.41
FFAR4 Q5NUL3 3/20 0.41
PDE10A Q9Y233 4/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
APAF1 O14727 1/20 0.38
NSD2 O96028 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LTB4R Q15722 2/20 0.38
VNN1 O95497 1/20 0.37
DRD3 P35462 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL5746122 0.91 GFPT1 (0.67) GFPT1FOSJUNDPP4PDE10A
SCHEMBL5744435 0.91 GFPT1 (0.64) GFPT1FOSJUNS1PR1DPP4
Trifluoroacetic Acid SCHEMBL5745098 0.90 GFPT1 (0.66) GFPT1FOSJUNS1PR1DPP4
SCHEMBL1366610 0.90 GFPT1 (0.67) GFPT1PTGDR2
SCHEMBL5744819 0.88 GFPT1 (0.69) GFPT1DPP4PDE10APTGDR2APAF1
Trifluoroacetic Acid SCHEMBL6108469 0.88 GFPT1 (0.70) GFPT1FOSJUNDPP4PTGDR2
SCHEMBL5745274 0.87 GFPT1 (0.68) GFPT1DPP4PDE10APTGDR2APAF1
Hydrochloric Acid SCHEMBL5742666 0.86 GFPT1 (0.67) GFPT1DPP4PDE10APTGDR2APAF1
Trifluoroacetic Acid SCHEMBL5768365 0.86 GFPT1 (0.70) GFPT1FOSJUNDPP4PDE10A
SCHEMBL1367662 0.85 GFPT1 (0.66) GFPT1FOSJUNDPP4PDE10A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885FOS 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.