Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1597918

O=C(O)C(F)(F)F.c1cnc2nc(NCC3CCCCN3)cnc2c1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
IL1B P01584 2/20 0.39
PBK Q96KB5 2/20 0.39
PTPN11 Q06124 1/20 0.38
SYK P43405 1/20 0.38
KCNH2 Q12809 1/20 0.38
GPR6 P46095 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
CHEK1 O14757 1/20 0.37

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 SCHEMBL1596718 0.92 PTPN11 (0.40) PRMT5HDAC4HDAC6IRAK4IL1B
SCHEMBL1597909 0.77 IRAK4 (0.48) PRMT5IRAK4SYKKCNH2
SCHEMBL1597414 0.74 PRMT5 (0.50) PRMT5IRAK4IL1BPBK
Trifluoroacetic Acid SCHEMBL1597922 0.74 DPP4 (0.40) DPP4DPP8DPP7GPR6TRPV1
SCHEMBL1597925 0.73 CXCR3 (0.36) HDAC4HDAC6DPP4DPP8DPP7
SCHEMBL1598614 0.72 PRMT5 (0.46) PRMT5IRAK4IL1B
SCHEMBL1597780 0.72 HCRTR2 (0.41) PRMT5DPP4DPP8DPP7TRPV1
SCHEMBL1599109 0.70 IDO1 (0.42) PRMT5IRAK4IL1BCHEK1
SCHEMBL1599104 0.70 IDO1 (0.42) PRMT5IRAK4IL1BCHEK1
SCHEMBL8967174 0.70 PRKCQ (0.53) PRMT5HDAC4HDAC6IL1BSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919507-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2011-04-05 US disclosed
US-7741329-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2010-06-22 US disclosed
US-20090093478-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.I.C. 2009-04-09 US disclosed
US-20090029986-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-29 US disclosed
US-20090012073-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-08 US disclosed
US-7432270-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM P.L.C. (GB) 2008-10-07 US disclosed
EP-1956020-A2 1-[2-(heterocyclyl-aminomethyl)-piperidin-1-YL]-1-(2-methyl-5-phenyl-heterocyclyl)-methanone derivatives and related compounds as orexin-1 antagonists for the treatment of obesity SMITHKLINE BEECHAM PLC (GB) 2008-08-13 EP disclosed
EP-1385845-B1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM PLC (GB) 2008-01-09 EP disclosed
US-20040143115-A1 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2004-07-22 US 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 (4 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-20090012073-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB PRMT5 200/4885HDAC4 1754/4885HDAC6 880/4885
US-20090093478-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB PRMT5 200/4885HDAC4 1754/4885HDAC6 880/4885
US-20090029986-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB PRMT5 200/4885HDAC4 1754/4885HDAC6 880/4885
US-20040143115-A1 N-aroyl cyclic amines HCRTR1, HCRTR2, CNR1 PRMT5 1134/4885HDAC4 458/4885HDAC6 904/4885

“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.