Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3617476

O=C(C=CN1CCCCC1)c1cccc(-c2cc3ccccc3s2)n1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 10/20 0.42
CHUK O15111 7/20 0.42
IKBKG Q9Y6K9 7/20 0.42
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
PRKCZ Q05513 1/20 0.38
PLAU P00749 1/20 0.38
DCK P27707 1/20 0.38
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
NPY5R Q15761 1/20 0.33
HDAC2 Q92769 1/20 0.33
ALOX5 P09917 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL16026874 0.93 IKBKB (0.46) IKBKBCHUKIKBKGTDP1MEN1
Trifluoroacetic Acid SCHEMBL3622926 0.82 NPSR1 (0.46) MEN1KMT2AALDH1A1KDM4ENPC1
Trifluoroacetic Acid SCHEMBL3613845 0.79 SCN9A (0.42) MEN1KMT2ANPSR1
Trifluoroacetic Acid SCHEMBL3617256 0.79 CTSA (0.42)
SCHEMBL3611754 0.74 IKBKB (0.49) IKBKBCHUKIKBKGTDP1MEN1
SCHEMBL8171137 0.70 ALDH1A1 (0.56) IKBKBCHUKIKBKGTDP1MEN1
SCHEMBL16026875 0.70 ALDH1A1 (0.56) IKBKBCHUKIKBKGTDP1MEN1
SCHEMBL3622049 0.70 APP (0.40) IKBKBCHUKIKBKGPLAUALDH1A1
Trifluoroacetic Acid SCHEMBL3170072 0.69 DCK (0.48) IKBKBCHUKIKBKGTDP1MEN1
SCHEMBL3608803 0.67 ALDH1A1 (0.41) MEN1KMT2AALDH1A1NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2501693-B1 AZA HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS BACTERICIDES FAB PHARMA SAS (FR) 2014-09-17 EP claimed
US-20120277207-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FAB PHARMA S.A.S. (FR) 2012-11-01 US claimed
EP-2501693-B1 AZA HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS BACTERICIDES FAB PHARMA SAS (FR) 2014-09-17 EP disclosed
US-8304438-B2 Heteroarylacrylamides and their use as pharmaceuticals SANOFI (FR) 2012-11-06 US disclosed
US-20100016272-A1 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
EP-2099753-A2 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2009-09-16 EP disclosed
EP-1939180-A1 Heteroarylacrylamides and their use as pharmaceuticals for the stimulation of the expression of endothelial NO synthase sanofi-aventis (FR) 2008-07-02 EP disclosed
WO-2008074413-A2 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FOR THE STIMULATION OF THE EXPRESSION OF ENDOTHELIAL NO SYNTHASE SANOFI-AVENTIS (FR) 2008-06-26 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 (2 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-20100016272-A1 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS NOS3, PTGIS, NOS1 IKBKB 640/4885CHUK 248/4885IKBKG 428/4885
US-20120277207-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS ACR, AADAC, AAAS IKBKB 2378/4885CHUK 1483/4885IKBKG 3040/4885

“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.