Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4243585

NCc1ccc(F)cc1F.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
AGXT P21549 2/20 0.44
RIPK1 Q13546 2/20 0.42
MAOB P27338 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
KCNN4 O15554 1/20 0.40
GPR6 P46095 4/20 0.39
MAPK8 P45983 1/20 0.39
TRPA1 O75762 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
KEAP1 Q14145 1/20 0.37
GSK3B P49841 1/20 0.37
BACE1 P56817 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
SCHEMBL113852 0.83 IDO1 (0.59) IDO1AGXTMAOBALDH1A1HTR2A
SCHEMBL26625794 0.83 IDO1 (0.59) IDO1AGXTMAOBALDH1A1HTR2A
Trifluoroacetic Acid SCHEMBL17824325 0.81 MAPK8 (0.50) IDO1AGXTRIPK1GPR6MAPK8
Trifluoroacetic Acid SCHEMBL2527590 0.80 CYP1A2 (0.35) IDO1GPR6KEAP1
Trifluoroacetic Acid SCHEMBL2527625 0.80 FFAR4 (0.40) GPR6
Trifluoroacetic Acid SCHEMBL27660793 0.79 MGLL (0.36) IDO1KCNN4GPR6
Trifluoroacetic Acid SCHEMBL2525985 0.77 FFAR4 (0.43) ALDH1A1KEAP1
Trifluoroacetic Acid SCHEMBL2524317 0.77 CHIT1 (0.41) ALDH1A1KEAP1
Trifluoroacetic Acid SCHEMBL29675105 0.77 MAPK8 (0.44) IDO1AGXTRIPK1MAOBGPR6
SCHEMBL23277947 0.76 RIPK1 (0.42) IDO1AGXTRIPK1MAOBCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192096-A1 2'-Substituted 1,1'-Biphenyl-2-Carboxamides, Processes For Their Preparation, Their Use As Medicaments, And Pharmaceutical Preparations Comprising Them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-07-30 US disclosed
US-7514582-B2 2′-substituted 1,1′-biphenyl-2-carboxamides, processes for their preparation, their use as medicaments, and pharmaceutical preparations comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-04-07 US disclosed
US-20040102513-A1 2'-Substituted 1,1'-biphenyl-2-carboxamides, processes for their preparation, their use as medicaments, and pharmaceutical preparations comprising them AVENTIS PHARMA DEUTSCHLAND GMBH 2004-05-27 US disclosed
US-6686395-B2 THERAPY OF A CARDIAC ARRYTHMIA WHICH CAN BE ELIMINATED BY ACTION POTENTIAL PROLONGATION; POTASSIUM CHANNEL MODULATOR AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-03 US disclosed
US-20030171351-A1 2'-substituted 1,1'-biphenyl-2-carboxamides, process for their preparation, their use as medicaments, and pharmaceutical preparations comprising them AVENTIS PHARMA DEUTSCHLAND GMBH 2003-09-11 US disclosed
US-6531495-B1 Potassium channel AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-03-11 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 (3 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-20030171351-A1 2'-substituted 1,1'-biphenyl-2-carboxamides, process for their preparation, their use as medicaments, and pharmaceutical preparations comprising them MLLT3, RYR2, KCNH1 IDO1 1928/4885AGXT 2965/4885RIPK1 4487/4885
US-20090192096-A1 2'-Substituted 1,1'-Biphenyl-2-Carboxamides, Processes For Their Preparation, Their Use As Medicaments, And Pharmaceutical Preparations Comprising Them MLLT3, RYR2, CACNA1E IDO1 2016/4885AGXT 2959/4885RIPK1 4517/4885
US-20040102513-A1 2'-Substituted 1,1'-biphenyl-2-carboxamides, processes for their preparation, their use as medicaments, and pharmaceutical preparations comprising them MLLT3, RYR2, CACNA1E IDO1 1944/4885AGXT 2919/4885RIPK1 4472/4885

“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.