Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3170072

O=C(CCc1ccc(-c2cc3ccccc3s2)nc1)N1CCCCC1.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
DCK P27707 1/20 0.48
NPC1 O15118 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
NAAA Q02083 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
ME2 P23368 1/20 0.43
ME1 P48163 1/20 0.43
ME3 Q16798 1/20 0.43
IKBKB O14920 2/20 0.42
CHUK O15111 1/20 0.42
IKBKG Q9Y6K9 1/20 0.42
CYP4F2 P78329 3/20 0.42
CYP4A11 Q02928 3/20 0.42
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
C3AR1 Q16581 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
SCHEMBL8469978 0.93 DCK (0.53) DCKNPC1TDP1NAAACYP11B1
Trifluoroacetic Acid SCHEMBL3171571 0.79 NPC1 (0.50) NPC1TDP1NAAACYP11B1CYP11B2
Trifluoroacetic Acid SCHEMBL3169897 0.78 NAAA (0.49) NPC1TDP1NAAACYP11B1CYP4F2
SCHEMBL8164698 0.73 ALDH1A1 (0.54) DCKNPC1CYP11B1CYP11B2IKBKB
SCHEMBL3611756 0.73 ALDH1A1 (0.54) DCKNPC1CYP11B1CYP11B2IKBKB
SCHEMBL8461306 0.71 NAAA (0.52) NPC1TDP1NAAACYP11B1CYP4F2
Trifluoroacetic Acid SCHEMBL1789639 0.69 CHRNB2 (0.53) CYP11B1CYP11B2KDM1A
Trifluoroacetic Acid SCHEMBL3177218 0.69 HSPB1 (0.43) NPC1TDP1NAAAME2ME1
Trifluoroacetic Acid SCHEMBL3617476 0.69 IKBKB (0.42) DCKNPC1TDP1IKBKBCHUK
SCHEMBL3611754 0.68 IKBKB (0.49) DCKNPC1TDP1CYP11B1CYP11B2

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 DCK 3968/4885NPC1 2911/4885TDP1 1551/4885

“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.