Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4607803

CC(C)(N)CCn1c(=O)[nH]c2ccccc21.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 1/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTR7 P34969 5/20 0.44
RAB9A P51151 1/20 0.44
P2RX7 Q99572 4/20 0.43
ABCB11 O95342 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL739035 0.90 MEN1 (0.59) MEN1CYP1A2KMT2APOLBLMNA
SCHEMBL1856433 0.82 LMNA (0.61) MEN1CYP1A2KMT2APOLBLMNA
SCHEMBL738053 0.79 MEN1 (0.59) MEN1CYP1A2KMT2APOLBLMNA
SCHEMBL739301 0.79 MEN1 (0.63) MEN1CYP1A2KMT2APOLBLMNA
SCHEMBL3390372 0.78 MEN1 (0.51) MEN1CYP1A2KMT2APOLBLMNA
SCHEMBL738179 0.77 MEN1 (0.50) MEN1CYP1A2KMT2APOLBLMNA
SCHEMBL10833938 0.76 CYP1A2 (0.63) MEN1CYP1A2KMT2APOLBLMNA
SCHEMBL1858719 0.75 MAPT (0.47) MEN1CYP1A2KMT2AALDH1A1MAPT
SCHEMBL4640794 0.74 MEN1 (0.38) MEN1KMT2APOLBHPGDTSHR
SCHEMBL13870499 0.73 MEN1 (0.49) MEN1CYP1A2KMT2APOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943229-A1 BENZIMIDAZOLE DERIVATIVES FOR USE AS BETA-3 RECEPTOR AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-16 EP disclosed
US-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-01 US disclosed
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-17 US disclosed
WO-2007048842-A1 BENZIMIDAZOLE DERIVATIVES FOR USE AS BETA-3 RECEPTOR AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 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 (2 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-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 MEN1 2066/4885CYP1A2 135/4885KMT2A 4734/4885
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance ADRB3, ADRB1, ADRA1B MEN1 3974/4885CYP1A2 231/4885KMT2A 4585/4885

“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.