SCHEMBL5745153

SCHEMBL5745153

COc1cc2c(C(=O)O)cnc(C(=O)c3cccc(OCC(=O)N4CCOCC4)c3)c2cc1OC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ MAPT P10636 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ KEAP1 Q14145 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HTT P42858 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
Trifluoroacetic Acid SCHEMBL6107669 0.96 FKBP1A (0.45) FKBP1AALDH1A1MAPTPOLBTP53
SCHEMBL5765120 0.92 MEN1 (0.45) ALDH1A1MAPTPOLBTP53SMN1; SMN2
SCHEMBL5744564 0.90 GAA (0.55) ALDH1A1MAPTPOLBTP53SMN1; SMN2
SCHEMBL5766705 0.90 MAPK1 (0.51) ALDH1A1MAPTSMN1; SMN2KDM4EMAPK1
SCHEMBL5744131 0.90 MAPK1 (0.43) ALDH1A1MAPTTP53SMN1; SMN2KDM4E
Trifluoroacetic Acid SCHEMBL5809778 0.88 GFPT1 (0.46) ALDH1A1MAPTPOLBSMN1; SMN2KDM4E
SCHEMBL6107674 0.88 MAPT (0.45) FKBP1AALDH1A1MAPTPOLBTP53
SCHEMBL5767169 0.87 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2KDM4EGAA
Trifluoroacetic Acid SCHEMBL5763821 0.87 GAA (0.51) ALDH1A1MAPTPOLBSMN1; SMN2GAA
SCHEMBL5745432 0.84 LMNA (0.48) POLBSMN1; SMN2KDM4EMAPK1KMT2A

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 FKBP1A 2830/4885ALDH1A1 1211/4885MAPT 1626/4885

“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.

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