SCHEMBL5745391

SCHEMBL5745391

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GFPT1 Q06210 1/20 0.49
▸ ROCK2 O75116 7/20 0.43
▸ ROCK1 Q13464 5/20 0.43
▸ CLK2 P49760 1/20 0.43
▸ BLK P51451 1/20 0.43
▸ CSNK2A1 P68400 1/20 0.43
▸ STK3 Q13188 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ STK17A Q9UEE5 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.40
▸ VNN1 O95497 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAOB P27338 1/20 0.37

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
SCHEMBL5745161 0.91 KMT2A (0.48) GFPT1POLBMEN1KMT2A
SCHEMBL5745432 0.87 LMNA (0.48) GFPT1AURKBVNN1CYP1A2POLB
SCHEMBL5745876 0.85 GFPT1 (0.51) GFPT1HSD17B10VNN1CYP1A2
SCHEMBL5744619 0.84 GFPT1 (0.49) GFPT1HSD17B10MEN1KMT2A
SCHEMBL5744593 0.84 GFPT1 (0.60) GFPT1CYP1A2MEN1KMT2A
SCHEMBL5743882 0.84 GFPT1 (0.49) GFPT1VNN1CYP1A2POLB
SCHEMBL5745283 0.84 PTPN1 (0.49) GFPT1HSD17B10VNN1ABCG2CYP1A2
SCHEMBL5745305 0.84 GFPT1 (0.48) GFPT1AURKBVNN1CYP1A2MEN1
SCHEMBL5746001 0.83 GFPT1 (0.52) GFPT1HSD17B10VNN1CYP1A2MEN1
Trifluoroacetic Acid SCHEMBL5767994 0.83 GFPT1 (0.51) GFPT1AURKBVNN1CYP1A2

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 1/4885ROCK2 3662/4885ROCK1 4173/4885

“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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