SCHEMBL6109826

SCHEMBL6109826

COc1cc2c(C(=O)OC(=O)C(F)(F)F)cnc(C(=O)c3cc(OC(C)C)ccc3F)c2cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFPT1 Q06210 1/20 0.46
▸ PDGFRB P09619 3/20 0.36
▸ CSF1R P07333 4/20 0.36
▸ PDE10A Q9Y233 2/20 0.35
▸ EGFR P00533 1/20 0.35
▸ MAPK7 Q13164 1/20 0.34
▸ DPP4 P27487 2/20 0.34
▸ APAF1 O14727 1/20 0.34
▸ TDP2 O95551 1/20 0.34
▸ NSD2 O96028 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ PPP1CA P62136 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ SAE1 Q9UBE0 1/20 0.34
▸ UBA2 Q9UBT2 1/20 0.34
▸ KAT6A Q92794 1/20 0.34
▸ KDR P35968 1/20 0.33
▸ CPS1 P31327 1/20 0.33

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
SCHEMBL5766196 0.92 PDE10A (0.39) GFPT1CSF1RPDE10AEGFRDPP4
SCHEMBL6108636 0.87 GFPT1 (0.45) GFPT1PDGFRBCSF1RPDE10AEGFR
Trifluoroacetic Acid SCHEMBL5744985 0.87 GFPT1 (0.47) GFPT1PDGFRBCSF1RPDE10AEGFR
SCHEMBL5745267 0.86 GFPT1 (0.46) GFPT1PDGFRBCSF1RPDE10AEGFR
SCHEMBL6110313 0.85 GFPT1 (0.51) GFPT1PDGFRBCSF1RPDE10AMAPK7
SCHEMBL5768599 0.85 GFPT1 (0.61) GFPT1PDGFRBPDE10AMAPK7APAF1
Trifluoroacetic Acid SCHEMBL5743418 0.81 GFPT1 (0.46) GFPT1PDGFRBCSF1RPDE10AEGFR
SCHEMBL5746074 0.81 GFPT1 (0.45) GFPT1PDGFRBCSF1RPDE10AEGFR
SCHEMBL6111064 0.80 CSF1R (0.40) GFPT1CSF1RPDE10ADPP4KDR
Trifluoroacetic Acid SCHEMBL5744981 0.80 GFPT1 (0.53) GFPT1PDGFRBPDE10AEGFRDPP4

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 GFPT1 1/4885PDGFRB 1671/4885CSF1R 394/4885

“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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