SCHEMBL5745206

SCHEMBL5745206

CCOC(=O)c1cnc(C(=O)c2cccc(O)c2)c2cc(OC)c(OC)cc12

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.55
NPC1 O15118 1/20 0.46
CSNK1D P48730 1/20 0.46
MAPT P10636 5/20 0.45
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL5743798 0.89 DPP4 (0.55) DPP4NPC1CSNK1DMAPTKDM4E
SCHEMBL5742267 0.89 DPP4 (0.59) DPP4NPC1MAPTLMNAALDH1A1
Hydrochloric Acid SCHEMBL27634235 0.88 DPP4 (0.60) DPP4NPC1MAPTLMNAALDH1A1
SCHEMBL5745115 0.86 GFPT1 (0.58) DPP4NPC1CSNK1DMAPTKDM4E
SCHEMBL5744135 0.85 DPP4 (0.50) DPP4NPC1MAPTLMNAKDM4E
SCHEMBL5743412 0.85 DPP4 (0.50) DPP4NPC1MAPTLMNAALDH1A1
SCHEMBL5765540 0.83 DPP4 (0.48) DPP4NPC1CSNK1DMAPTLMNA
SCHEMBL5746100 0.83 DPP4 (0.53) DPP4MAPTLMNAKDM4EALDH1A1
SCHEMBL5745289 0.82 DPP4 (0.47) DPP4NPC1CSNK1DMAPTKDM4E
SCHEMBL5764493 0.82 DPP4 (0.56) DPP4MAPTLMNATP53MEN1

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 DPP4 134/4885NPC1 2334/4885CSNK1D 2767/4885

“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.