SCHEMBL5766705

SCHEMBL5766705

COc1cc2c(C(=O)O)cnc(C(=O)c3cccc(OCC(=O)N4CCN(c5ccccc5)CC4)c3)c2cc1OC

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.51
▸ ENPP2 Q13822 9/20 0.50
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MAPT P10636 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ ME2 P23368 1/20 0.46
▸ ME1 P48163 1/20 0.46
▸ ME3 Q16798 1/20 0.46

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
SCHEMBL5744564 0.91 GAA (0.55) MAPK1ENPP2MEN1KMT2ASMN1; SMN2
SCHEMBL5765120 0.91 MEN1 (0.45) MAPK1ENPP2MEN1KMT2ASMN1; SMN2
SCHEMBL5745153 0.90 FKBP1A (0.48) MAPK1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL5767169 0.89 ALDH1A1 (0.54) MAPK1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5744131 0.88 MAPK1 (0.43) MAPK1ENPP2MEN1KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL5763821 0.87 GAA (0.51) MAPK1ENPP2MEN1KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL5809778 0.87 GFPT1 (0.46) MAPK1ENPP2MEN1KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL6107669 0.86 FKBP1A (0.45) MAPK1KMT2ASMN1; SMN2MAPTKDM4E
Trifluoroacetic Acid SCHEMBL5767572 0.85 ALDH1A1 (0.50) MAPK1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5745432 0.83 LMNA (0.48) MAPK1MEN1KMT2ASMN1; SMN2KDM4E

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
US-7067529-B2 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors HOFFMANN-LA ROCHE INC. (US) 2006-06-27 — — US claimed
US-20040259910-A1 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors BOLIN DAVID ROBERT (US) 2004-12-23 — — US 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 MAPK1 1889/4885ENPP2 583/4885MEN1 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.

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