Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3622926

O=C(C=CN1CCCCC1)c1cccc(-c2ccccc2)n1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
CNR2 P34972 3/20 0.42
CNR1 P21554 2/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
MAPK1 P28482 3/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 4/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39

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 SCHEMBL3613845 0.93 SCN9A (0.42) NPSR1CNR2CNR1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL3617256 0.86 CTSA (0.42) HSD17B14
Trifluoroacetic Acid SCHEMBL3617476 0.82 IKBKB (0.42) NPSR1ALDH1A1MEN1NPC1POLB
SCHEMBL3608803 0.74 ALDH1A1 (0.41) CNR2CNR1ALDH1A1HPGDMAPK1
SCHEMBL16026874 0.72 IKBKB (0.46) ALDH1A1MAPK1MEN1NPC1USP2
SCHEMBL3164103 0.72 ALDH1A1 (0.44) NPSR1CNR1ALDH1A1HPGDMAPK1
SCHEMBL6280287 0.70 ALDH1A1 (0.59) NPSR1ALDH1A1HPGDMAPK1MEN1
SCHEMBL19149495 0.69 MAPT (0.55) ALDH1A1MAPK1MEN1NPC1MAPT
SCHEMBL29648185 0.67 DGAT1 (0.56) CNR2ALDH1A1HPGDMEN1POLB
SCHEMBL608430 0.67 DGAT1 (0.56) CNR2ALDH1A1HPGDMEN1POLB

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-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 (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-20100016272-A1 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS NOS3, PTGIS, NOS1 NPSR1 554/4885CNR2 686/4885CNR1 487/4885

“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.