SCHEMBL5745289

SCHEMBL5745289

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.47
GFPT1 Q06210 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.42
MAPT P10636 2/20 0.40
CSNK1D P48730 1/20 0.39
NMT1 P30419 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 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
Hydrochloric Acid SCHEMBL5743427 0.99 DPP4 (0.48) DPP4GFPT1MEN1KMT2ANPC1
SCHEMBL5745115 0.88 GFPT1 (0.58) DPP4GFPT1MEN1KMT2ANPC1
SCHEMBL5743798 0.88 DPP4 (0.55) DPP4GFPT1MEN1KMT2ANPC1
SCHEMBL5744135 0.87 DPP4 (0.50) DPP4GFPT1MEN1KMT2ANPC1
SCHEMBL5743412 0.85 DPP4 (0.50) DPP4GFPT1MEN1KMT2ANPC1
SCHEMBL5765540 0.84 DPP4 (0.48) DPP4GFPT1MEN1KMT2ANPC1
SCHEMBL5742267 0.84 DPP4 (0.59) DPP4MEN1KMT2ANPC1MAPT
SCHEMBL5746100 0.83 DPP4 (0.53) DPP4GFPT1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL27634235 0.83 DPP4 (0.60) DPP4MEN1KMT2ANPC1MAPT
SCHEMBL5745876 0.82 GFPT1 (0.51) GFPT1MAPTKDM4EALDH1A1

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 4 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 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 134/4885GFPT1 1/4885MEN1 2407/4885

“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.