Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3177218

O=C(CCc1ccc(Oc2ccc(F)cc2F)nc1)N1CCCCC1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 1/20 0.43
RAB9A P51151 1/20 0.41
NPC1 O15118 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
POLB P06746 2/20 0.40
HTT P42858 2/20 0.40
NAAA Q02083 1/20 0.40
TSHR P16473 1/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ME2 P23368 1/20 0.40
ME1 P48163 1/20 0.40

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 SCHEMBL3169897 0.77 NAAA (0.49) NPC1TDP1NAAAC3AR1
Trifluoroacetic Acid SCHEMBL3171571 0.73 NPC1 (0.50) RAB9ANPC1TDP1NAAAKMT2A
SCHEMBL876044 0.73 HSPB1 (0.53) HSPB1MEN1KMT2AL3MBTL1
Trifluoroacetic Acid SCHEMBL3179728 0.72 NAAA (0.50) NPC1TDP1NAAAME2ME1
SCHEMBL23361483 0.71 HSPB1 (0.56) HSPB1MEN1KMT2AL3MBTL1
SCHEMBL29874073 0.71 HSPB1 (0.56) HSPB1MEN1KMT2AL3MBTL1
SCHEMBL13900106 0.70 NPC1 (0.68) NPC1TDP1ALDH1A1POLBNAAA
SCHEMBL3169576 0.70 NPC1 (0.55) NPC1TDP1ALDH1A1POLBNAAA
SCHEMBL8461306 0.70 NAAA (0.52) NPC1TDP1NAAA
Trifluoroacetic Acid SCHEMBL3170072 0.69 DCK (0.48) RAB9ANPC1TDP1ALDH1A1NAAA

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 HSPB1 4121/4885RAB9A 3124/4885NPC1 2911/4885

“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.