Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3872908

O=C(O)C(F)(F)F.O=C1CNC(=O)N1C/C=C/c1ccc(-c2ccc(F)cc2)nc1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ASIC1 P78348 4/20 0.38
GRM2 Q14416 1/20 0.37
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
PTPN11 Q06124 1/20 0.35
MLNR O43193 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MITF O75030 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KLF5 Q13887 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PRCP P42785 3/20 0.32
TSHR P16473 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
KCNH2 Q12809 1/20 0.32
HTR4 Q13639 1/20 0.32

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 SCHEMBL3872911 1.00 NPC1 (0.39) NPC1RXFP1ASIC1GRM2PTPN1
SCHEMBL4911752 0.92 NPC1 (0.39) NPC1RXFP1GRM2PTPN1PTPN6
SCHEMBL4911748 0.92 NPC1 (0.39) NPC1RXFP1GRM2PTPN1PTPN6
Trifluoroacetic Acid SCHEMBL3885352 0.88 NPC1 (0.39) NPC1RXFP1ASIC1PTPN1PTPN6
Trifluoroacetic Acid SCHEMBL3885351 0.88 NPC1 (0.39) NPC1RXFP1ASIC1PTPN1PTPN6
Trifluoroacetic Acid SCHEMBL3871746 0.86 ASIC1 (0.38) NPC1RXFP1ASIC1GRM2PTPN1
Trifluoroacetic Acid SCHEMBL3871750 0.86 ASIC1 (0.38) NPC1RXFP1ASIC1GRM2PTPN1
Trifluoroacetic Acid SCHEMBL3883655 0.84 GRM2 (0.38) GRM2TSHRKCNH2
Trifluoroacetic Acid SCHEMBL3883658 0.84 GRM2 (0.38) GRM2TSHRKCNH2
Trifluoroacetic Acid SCHEMBL3879936 0.84 GRM5 (0.41) GRM2MLNRKDM4ESMN1; SMN2CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642620-B2 Heteroaryl-substituted amides comprising an unsaturated or cyclic linker group, and their use as pharmaceuticals SANOFI (FR) 2014-02-04 US disclosed
EP-1904476-B1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING AN UNSATURATED OR CYCLIC LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS (FR) 2009-02-25 EP disclosed
US-20080167342-A1 Heteroaryl-Substituted Amides Comprising An Unsaturated Or Cyclic Linker Group, And Their Use As Pharmaceuticals SANOFI-AVENTIS (FR) 2008-07-10 US disclosed
EP-1904476-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING AN UNSATURATED OR CYCLIC LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-04-02 EP disclosed
EP-1741708-A1 Heteroaryl-substituted amides comprising an unsaturated or cyclic linker group, and their use as pharmaceuticals Sanofi-Aventis Deutschland GmbH (DE) 2007-01-10 EP disclosed
WO-2007000248-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING AN UNSATURATED OR CYCLIC LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-01-04 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-20080167342-A1 Heteroaryl-Substituted Amides Comprising An Unsaturated Or Cyclic Linker Group, And Their Use As Pharmaceuticals TBXAS1, PTGIS, NOS2 NPC1 2910/4885RXFP1 708/4885ASIC1 2926/4885

“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.