Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3595613

O=C(Nc1nccs1)[C@@H]1C[C@H]1c1ccc(-c2ccc(F)cc2)nc1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 4/20 0.48
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
GAA P10253 3/20 0.42
IKBKB O14920 2/20 0.42
JAK2 O60674 2/20 0.42
ROCK2 O75116 2/20 0.42
TYK2 P29597 2/20 0.42
JAK3 P52333 2/20 0.42
ROCK1 Q13464 2/20 0.42
JAK1 P23458 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MGAM O43451 1/20 0.41
MAPT P10636 1/20 0.41

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 SCHEMBL3595610 1.00 SCN3A (0.48) SCN3ASCN5ASCN9AGAAIKBKB
SCHEMBL8465483 0.94 SCN3A (0.50) SCN3ASCN5ASCN9AGAAIKBKB
Trifluoroacetic Acid SCHEMBL3614385 0.83 DEGS1 (0.45) IKBKBJAK2ROCK2TYK2JAK3
Trifluoroacetic Acid SCHEMBL3614387 0.83 DEGS1 (0.45) IKBKBJAK2ROCK2TYK2JAK3
Trifluoroacetic Acid SCHEMBL3601567 0.81 KDM1A (0.41) NPC1SMN1; SMN2KDM1AMAOB
Trifluoroacetic Acid SCHEMBL3601568 0.81 KDM1A (0.41) NPC1SMN1; SMN2KDM1AMAOB
Trifluoroacetic Acid SCHEMBL3610726 0.80 KDM1A (0.48) NPC1KDM1AMAOB
Trifluoroacetic Acid SCHEMBL3610727 0.80 KDM1A (0.48) NPC1KDM1AMAOB
Trifluoroacetic Acid SCHEMBL3596302 0.79 TRPM5 (0.42) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL3596305 0.79 TRPM5 (0.42) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1

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
EP-2121612-B1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2014-10-01 EP disclosed
US-8299102-B2 Heteroarylcyclopropanecarboxamides and their use as pharmaceuticals SANOFI (FR) 2012-10-30 US disclosed
US-20100016278-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
EP-2121612-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2009-11-25 EP disclosed
WO-2008080511-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2008-07-10 WO disclosed
EP-1942104-A1 Heteroarylcyclopropanecarboxamides and their use as pharmaceuticals sanofi-aventis (FR) 2008-07-09 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-20100016278-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS PTGIS, TBXAS1, EDNRA SCN3A 3053/4885SCN5A 2830/4885SCN9A 3915/4885

“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.