Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3179461

O=C(O)C(F)(F)F.O=C(O)CNc1ccc(-c2ccc(F)cc2)nc1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.51
PTPN6 P29350 1/20 0.51
PTPN11 Q06124 1/20 0.51
NPC1 O15118 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
EGLN1 Q9GZT9 4/20 0.46
AURKA O14965 1/20 0.45
ABL1 P00519 1/20 0.45
NTRK1 P04629 1/20 0.45
LCK P06239 1/20 0.45
CSF1R P07333 1/20 0.45
RET P07949 1/20 0.45
MET P08581 1/20 0.45
PDGFRB P09619 1/20 0.45
PIM1 P11309 1/20 0.45
PDGFRA P16234 1/20 0.45
FLT3 P36888 1/20 0.45
MAPK8 P45983 1/20 0.45
CDK8 P49336 1/20 0.45
MAP2K1 Q02750 1/20 0.45

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 SCHEMBL3179359 0.85 EGLN1 (0.48) PTPN1PTPN6PTPN11NPC1EGLN1
Trifluoroacetic Acid SCHEMBL3174860 0.84 ADRA2A (0.49) PTPN1PTPN6PTPN11NPC1EGLN1
Trifluoroacetic Acid SCHEMBL3184084 0.81 KDM4E (0.47) PTPN1PTPN6PTPN11
Trifluoroacetic Acid SCHEMBL3177374 0.81 DHODH (0.48) NPC1ATR
SCHEMBL3179469 0.81 PTPN1 (0.48) PTPN1PTPN6PTPN11NPC1RXFP1
Trifluoroacetic Acid SCHEMBL3179670 0.80 NPC1 (0.48) PTPN1PTPN6PTPN11NPC1
Trifluoroacetic Acid SCHEMBL3163768 0.79 LDHA (0.51) PTPN1PTPN6PTPN11NPC1RXFP1
SCHEMBL3170135 0.77 PTPN1 (0.49) PTPN1PTPN6PTPN11NPC1RXFP1
Trifluoroacetic Acid SCHEMBL3174533 0.76 KMT2A (0.53) PTPN1PTPN6PTPN11NPC1
SCHEMBL8446323 0.75 ADRA2A (0.53) PTPN1PTPN6PTPN11NPC1RXFP1

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 PTPN1 2335/4885PTPN6 2824/4885PTPN11 2470/4885

“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.