Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5765827

COc1cc2c(C(=O)O)cnc(C(=O)c3cccc(CCC(=O)N4CCCC4)c3)c2cc1OC.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFPT1 Q06210 1/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PARP1 P09874 1/20 0.39
▸ SCN9A Q15858 1/20 0.38
▸ APP P05067 2/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ CYP4F2 P78329 2/20 0.37
▸ CYP4A11 Q02928 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MRGPRX4 Q96LA9 2/20 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
SCHEMBL5762611 0.96 NPC1 (0.43) NPC1TDP1MAPTNPSR1PARP1
SCHEMBL5765831 0.89 GFPT1 (0.39) GFPT1NPC1TDP1MAPTNPSR1
Trifluoroacetic Acid SCHEMBL5809778 0.86 GFPT1 (0.46) GFPT1NPC1TDP1MAPTRAB9A
SCHEMBL5765120 0.81 MEN1 (0.45) GFPT1NPC1TDP1MAPTRAB9A
Trifluoroacetic Acid SCHEMBL5768528 0.80 APP (0.49) GFPT1APPKDM4EALDH1A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5768525 0.80 APP (0.49) GFPT1APPKDM4EALDH1A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5767572 0.80 ALDH1A1 (0.50) GFPT1TDP1MAPTNPSR1KDM4E
Trifluoroacetic Acid SCHEMBL5763821 0.80 GAA (0.51) GFPT1TDP1MAPTPOLBALDH1A1
Trifluoroacetic Acid SCHEMBL6107669 0.79 FKBP1A (0.45) GFPT1MAPTKDM4EPOLBALDH1A1
Trifluoroacetic Acid SCHEMBL5767994 0.76 GFPT1 (0.51) GFPT1KDM4ELMNAHTTMRGPRX4

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 4 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
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 1/4885NPC1 2334/4885TDP1 2584/4885

“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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