Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1596720

CN(c1cnc2ncccc2n1)C1CCCCN1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.36
DPP8 Q6V1X1 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
GPR6 P46095 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
AURKA O14965 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
APAF1 O14727 1/20 0.31
RAD52 P43351 1/20 0.31
CASP7 P55210 1/20 0.31
CASP6 P55212 1/20 0.31
CASP8 Q14790 1/20 0.31
PTPN11 Q06124 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
CHRNB3 Q05901 1/20 0.30
CHRNA6 Q15825 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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 SCHEMBL1597922 0.92 DPP4 (0.40) DPP4DPP8DPP7GPR6PTGDR2
SCHEMBL1597911 0.76 SMN1; SMN2 (0.38) PTGDR2L3MBTL1CHRNB2CHRNA4MEN1
Trifluoroacetic Acid SCHEMBL1596718 0.74 PTPN11 (0.40) GPR6PTPN11CYP2D6KCNH2
SCHEMBL1596721 0.74 CXCR3 (0.37) PTPN11CHRNB2CHRNA4SMN1; SMN2CYP2D6
SCHEMBL6631143 0.68 CYP2D6 (0.38) CHRNB2CHRNA4MEN1NPC1ALDH1A1
Trifluoroacetic Acid SCHEMBL1597918 0.68 PRMT5 (0.40) DPP4DPP8DPP7GPR6PTPN11
SCHEMBL1597744 0.68 NCF1 (0.49) HRH3MEN1NPC1ALDH1A1RAB9A
SCHEMBL1596890 0.68 NCF1 (0.49) HRH3MEN1NPC1ALDH1A1RAB9A
SCHEMBL1596809 0.66 CHRNB2 (0.37) AURKACHRNB2CHRNA3CHRNA4MEN1
SCHEMBL1597925 0.66 CXCR3 (0.36) DPP4DPP8DPP7PTPN11CHRNB2

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 DPP4 3346/4885DPP8 3723/4885DPP7 3394/4885
US-20090093478-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB DPP4 3346/4885DPP8 3723/4885DPP7 3394/4885
US-20090029986-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB DPP4 3346/4885DPP8 3723/4885DPP7 3394/4885
US-20040143115-A1 N-aroyl cyclic amines HCRTR1, HCRTR2, CNR1 DPP4 3918/4885DPP8 4406/4885DPP7 4720/4885

“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.