Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3879936

O=C(O)C(F)(F)F.O=C1CNC(=O)N1CC=Cc1ccc(Nc2ccc(F)cc2)nc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.41
PRKAA2 P54646 5/20 0.38
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
ALOX12 P18054 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GRM2 Q14416 1/20 0.33
CCR3 P51677 1/20 0.32
HCAR3 P49019 1/20 0.32
POLB P06746 1/20 0.32
CNR2 P34972 1/20 0.32
MLNR O43193 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 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 SCHEMBL3879928 1.00 GRM5 (0.41) GRM5PRKAA2CHRNB4CHRNA3LMNA
SCHEMBL4909360 0.92 GRM5 (0.42) GRM5PRKAA2CHRNB4CHRNA3LMNA
SCHEMBL4909349 0.92 GRM5 (0.42) GRM5PRKAA2CHRNB4CHRNA3LMNA
Trifluoroacetic Acid SCHEMBL3872908 0.84 NPC1 (0.39) SMN1; SMN2KDM4EGRM2CCR3MLNR
Trifluoroacetic Acid SCHEMBL3872911 0.84 NPC1 (0.39) SMN1; SMN2KDM4EGRM2CCR3MLNR
Trifluoroacetic Acid SCHEMBL3883658 0.78 GRM2 (0.38) GRM2
SCHEMBL3879932 0.78 GRM5 (0.37) GRM5PRKAA2CHRNB4CHRNA3LMNA
SCHEMBL4911752 0.75 NPC1 (0.39) LMNAMEN1KMT2AGRM2MLNR
SCHEMBL4911748 0.75 NPC1 (0.39) LMNAMEN1KMT2AGRM2MLNR
Trifluoroacetic Acid SCHEMBL3885351 0.71 NPC1 (0.39) LMNAGAASMN1; SMN2MEN1KMT2A

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 GRM5 1904/4885PRKAA2 586/4885CHRNB4 3109/4885

“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.