Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1668786

COC(=O)CCOc1ccc(CN)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.51
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL1668551 0.90 LTA4H (0.52) LTA4HLMNAALDH1A1L3MBTL1KEAP1
SCHEMBL4838190 0.83 LTA4H (0.53) LTA4HLMNAALDH1A1KEAP1NFE2L2
Hydrochloric Acid SCHEMBL25376075 0.81 LTA4H (0.52) LTA4HLMNAALDH1A1KEAP1NFE2L2
SCHEMBL4843860 0.81 LTA4H (0.52) LTA4HLMNAALDH1A1L3MBTL1KEAP1
Trifluoroacetic Acid SCHEMBL6317983 0.79 LDHA (0.54) LOXL2
Trifluoroacetic Acid SCHEMBL6220574 0.79 LDHA (0.54) LOXL2
SCHEMBL13976874 0.78 ALDH1A1 (0.52) LTA4HLMNAALDH1A1TP53
SCHEMBL12801429 0.78 LMNA (0.54) LMNAALDH1A1L3MBTL1TP53
SCHEMBL21991262 0.77 ALDH1A1 (0.53) LTA4HLMNAALDH1A1
SCHEMBL4208345 0.77 LTA4H (0.55) LTA4HLMNAALDH1A1L3MBTL1

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-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
US-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-22 US disclosed
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP disclosed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 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-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM MYOF, FTH1, HCCS LTA4H 3370/4885CA12 657/4885CA1 1351/4885

“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.