Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3182204

O=C(O)C(F)(F)F.O=C(O)COc1ccc(-c2ccccc2F)nc1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
ALOX15 P16050 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
LDHA P00338 1/20 0.41
PTPN7 P35236 2/20 0.40
NPC1 O15118 2/20 0.40
FFAR1 O14842 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP11B1 P15538 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTPN12 Q05209 1/20 0.40
DHODH Q02127 1/20 0.39
ACACA Q13085 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL3169886 0.84 PDK2 (0.51) NPC1ALDH1A1MAPTRAB9AMEN1
SCHEMBL3182212 0.83 NPC1 (0.39) NPC1KDM4ECYP11B1RAB9ADHODH
Trifluoroacetic Acid SCHEMBL3180462 0.83 NPC1 (0.47) NPC1MAPTRAB9AKMT2ATP53
SCHEMBL4591771 0.82 PDK2 (0.47) ALOX5APFEN1NPC1CYP11B1RAB9A
Trifluoroacetic Acid SCHEMBL3173448 0.80 NPC1 (0.58) ALOX15NPC1ALDH1A1KDM4EMAPT
SCHEMBL4590827 0.80 NPC1 (0.47) NPC1CYP11B1RAB9AMEN1KMT2A
Trifluoroacetic Acid SCHEMBL3163768 0.80 LDHA (0.51) CYP4F2CYP4A11LDHANPC1MEN1
SCHEMBL3169981 0.79 PTPN1 (0.47) ALOX5APFEN1NPC1ALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL3177374 0.79 DHODH (0.48) ALOX5APFEN1NPC1FFAR1ALDH1A1
Trifluoroacetic Acid SCHEMBL4598130 0.79 NPC1 (0.38) CYP4F2CYP4A11NPC1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188291-B2 Heteroaryl-substituted carboxamides and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
EP-2097382-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE Sanofi-Aventis (FR) 2009-09-09 EP disclosed
WO-2008077507-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
EP-1939181-A1 Heteroaryl-substituted carboxamides and use thereof for the stimulation of the expression of NO synthase sanofi-aventis (FR) 2008-07-02 EP 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-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS TBXAS1, PTGIS, NOS2 ALOX5AP 378/4885FEN1 2945/4885ALOX15 287/4885

“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.