SCHEMBL5745305

SCHEMBL5745305

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFPT1 Q06210 1/20 0.48
▸ EGFR P00533 2/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CNR1 P21554 3/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ NUDT1 P36639 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ MAPK13 O15264 1/20 0.36
▸ MAPK12 P53778 1/20 0.36
▸ MAPK11 Q15759 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36

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
SCHEMBL5745391 0.84 GFPT1 (0.49) GFPT1CYP1A2AURKBVNN1MEN1
SCHEMBL5744882 0.83 MAPK7 (0.42) GFPT1CYP1A2HTTSMN1; SMN2PDE10A
SCHEMBL5744593 0.83 GFPT1 (0.60) GFPT1EGFRERBB2CYP1A2NUDT1
SCHEMBL5743882 0.82 GFPT1 (0.49) GFPT1EGFRERBB2CYP1A2CNR2
SCHEMBL5746001 0.82 GFPT1 (0.52) GFPT1EGFRERBB2CYP1A2NUDT1
Trifluoroacetic Acid SCHEMBL5768592 0.81 GFPT1 (0.63) GFPT1EGFRERBB2CYP1A2NUDT1
SCHEMBL5745876 0.80 GFPT1 (0.51) GFPT1CYP1A2KDM4EHTTPDE10A
SCHEMBL5745909 0.79 GFPT1 (0.52) GFPT1EGFRERBB2CYP1A2NUDT1
SCHEMBL5744619 0.79 GFPT1 (0.49) GFPT1KDM4EHTTSMN1; SMN2PDE10A
SCHEMBL5745432 0.78 LMNA (0.48) GFPT1EGFRERBB2CYP1A2KDM4E

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 GFPT1 1/4885EGFR 2929/4885ERBB2 2423/4885

“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.

Send feedback