SCHEMBL6107674

SCHEMBL6107674

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.45
▸ FKBP1A P62942 3/20 0.44
▸ GFPT1 Q06210 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ IDE P14735 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40

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
SCHEMBL5809784 0.93 GFPT1 (0.45) GFPT1ALDH1A1KDM4EGAAHPGD
SCHEMBL5763827 0.92 GAA (0.49) GFPT1ALDH1A1GAAMAPK1POLB
Trifluoroacetic Acid SCHEMBL6107669 0.89 FKBP1A (0.45) MAPTFKBP1AGFPT1ALDH1A1KDM4E
SCHEMBL5745153 0.88 FKBP1A (0.48) MAPTFKBP1AALDH1A1KDM4EGLA
SCHEMBL5767578 0.88 ALDH1A1 (0.48) MAPTGFPT1ALDH1A1KDM4EGAA
SCHEMBL5768004 0.85 GFPT1 (0.49) GFPT1KDM4EKMT2A
Trifluoroacetic Acid SCHEMBL5809778 0.82 GFPT1 (0.46) MAPTGFPT1ALDH1A1KDM4EGAA
Trifluoroacetic Acid SCHEMBL5763821 0.80 GAA (0.51) MAPTGFPT1ALDH1A1GAAMAPK1
SCHEMBL5765120 0.80 MEN1 (0.45) MAPTGFPT1ALDH1A1KDM4EGAA
SCHEMBL5768599 0.80 GFPT1 (0.61) GFPT1GAAKMT2A

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 2 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
US-20040259910-A1 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors BOLIN DAVID ROBERT (US) 2004-12-23 — — US 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 MAPT 1626/4885FKBP1A 2830/4885GFPT1 1/4885

“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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