Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4608301

Cc1nc2ccccc2n1CCC(C)(C)NCC(O)c1cccc(NS(=O)(=O)c2ccccc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 7/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
CBLB Q13191 4/20 0.38
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ADRB2 P07550 2/20 0.36
ADRB1 P08588 1/20 0.36
PIN1 Q13526 1/20 0.36
APAF1 O14727 1/20 0.35
ADRA1A P35348 1/20 0.35

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
SCHEMBL4607235 0.95 ADRB3 (0.45) ADRB3SMN1; SMN2TSHRLMNAALDH1A1
Trifluoroacetic Acid SCHEMBL4908055 0.82 ADRB3 (0.46) ADRB3CBLBALDH1A1ADRB2ADRB1
Trifluoroacetic Acid SCHEMBL4639767 0.81 ADRB3 (0.41) ADRB3ADRB2ADRB1ADRA1A
SCHEMBL4605935 0.80 ADRB3 (0.46) ADRB3ALDH1A1ADRB2ADRB1
Trifluoroacetic Acid SCHEMBL4605859 0.80 ADRB3 (0.42) ADRB3CBLBALDH1A1ADRA1A
SCHEMBL4607201 0.80 TRIM24 (0.47) ADRB3SMN1; SMN2LMNATP53ALDH1A1
Trifluoroacetic Acid SCHEMBL2945849 0.80 ADRB3 (0.42) ADRB3ADRB2ADRB1
Trifluoroacetic Acid SCHEMBL4644337 0.79 ADRB3 (0.42) ADRB3ALDH1A1
Trifluoroacetic Acid SCHEMBL2951304 0.79 ADRB3 (0.42) ADRB3ALDH1A1ADRB2ADRB1
Trifluoroacetic Acid SCHEMBL4645770 0.79 ADRB3 (0.42) ADRB3ADRB2ADRB1ADRA1A

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 ADRB3 2/4885SMN1; SMN2 2590/4885TSHR 466/4885
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 ADRB3 1/4885SMN1; SMN2 2337/4885TSHR 85/4885

“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.