Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1596718

O=C(O)C(F)(F)F.c1cnc2ncc(NCC3CCCCN3)nc2c1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
IL1B P01584 2/20 0.39
PBK Q96KB5 2/20 0.39
PRMT5 O14744 1/20 0.39
SYK P43405 1/20 0.38
KCNH2 Q12809 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MET P08581 1/20 0.37
GPR6 P46095 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
CHEK1 O14757 1/20 0.37
IDO1 P14902 2/20 0.37
TDO2 P48775 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36

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 SCHEMBL1597918 0.92 PRMT5 (0.40) PTPN11IRAK4IL1BPBKPRMT5
SCHEMBL1597909 0.77 IRAK4 (0.48) IRAK4PRMT5SYKKCNH2IDO1
SCHEMBL1598614 0.74 PRMT5 (0.46) IRAK4IL1BPRMT5CYP1A2CYP2D6
Trifluoroacetic Acid SCHEMBL1596720 0.74 DPP4 (0.36) PTPN11KCNH2GPR6CYP2D6
SCHEMBL1596721 0.73 CXCR3 (0.37) PTPN11PBKKCNH2METCYP1A2
SCHEMBL1599104 0.72 IDO1 (0.42) IRAK4IL1BPRMT5CHEK1IDO1
SCHEMBL1599109 0.72 IDO1 (0.42) IRAK4IL1BPRMT5CHEK1IDO1
SCHEMBL1597414 0.72 PRMT5 (0.50) IRAK4IL1BPBKPRMT5CYP1A2
SCHEMBL1597999 0.72 HCRTR2 (0.41) PRMT5TRPV1HCRTR1HCRTR2CYP2D6
SCHEMBL8967174 0.70 PRKCQ (0.53) IL1BPRMT5SYKKCNH2HDAC4

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 PTPN11 1574/4885IRAK4 4102/4885IL1B 4312/4885
US-20090093478-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB PTPN11 1574/4885IRAK4 4102/4885IL1B 4312/4885
US-20090029986-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB PTPN11 1574/4885IRAK4 4102/4885IL1B 4312/4885
US-20040143115-A1 N-aroyl cyclic amines HCRTR1, HCRTR2, CNR1 PTPN11 1684/4885IRAK4 3677/4885IL1B 1601/4885

“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.