Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5744660

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

nearest known ligand 0.44

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFPT1 Q06210 1/20 0.44
▸ APAF1 O14727 2/20 0.39
▸ NSD2 O96028 2/20 0.39
▸ CASP3 P42574 2/20 0.39
▸ SENP8 Q96LD8 2/20 0.39
▸ SENP7 Q9BQF6 2/20 0.39
▸ SENP6 Q9GZR1 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PDE10A Q9Y233 2/20 0.38
▸ EGFR P00533 4/20 0.38
▸ MAPK13 O15264 1/20 0.38
▸ MAPK12 P53778 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ ERBB2 P04626 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 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
SCHEMBL5744477 0.95 CASP3 (0.42) GFPT1APAF1NSD2CASP3SENP8
SCHEMBL6109223 0.86 GFPT1 (0.43) GFPT1APAF1NSD2CASP3SENP8
Trifluoroacetic Acid SCHEMBL5768592 0.83 GFPT1 (0.63) GFPT1APAF1NSD2CASP3SENP8
Trifluoroacetic Acid SCHEMBL5767994 0.82 GFPT1 (0.51) GFPT1APAF1NSD2CASP3SENP8
SCHEMBL6110046 0.81 SRC (0.49) APAF1NSD2CASP3SENP8SENP7
SCHEMBL5743882 0.81 GFPT1 (0.49) GFPT1APAF1NSD2CASP3SENP8
Trifluoroacetic Acid SCHEMBL5745777 0.80 EGFR (0.41) GFPT1PDE10AEGFRERBB2KDM4E
SCHEMBL5744098 0.78 EGFR (0.52) GFPT1APAF1NSD2CASP3SENP8
SCHEMBL5744619 0.77 GFPT1 (0.49) GFPT1APAF1NSD2CASP3SENP8
SCHEMBL5744593 0.77 GFPT1 (0.60) GFPT1APAF1NSD2CASP3SENP8

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 1/4885APAF1 4471/4885NSD2 2725/4885

“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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