Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5388346

CN(CCc1ccc(C2=NCCN2)cc1)C(=O)CCCNCS(=O)(=O)c1ccc(-c2ccccc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 16/20 0.41
NISCH Q9Y2I1 2/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
ADRA1B P35368 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 1/20 0.36
HTR5A P47898 1/20 0.36
HTR6 P50406 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 SCHEMBL5377543 0.97 BDKRB1 (0.42) BDKRB1NISCH
Trifluoroacetic Acid SCHEMBL5424150 0.95 BDKRB1 (0.42) BDKRB1NISCHHTR1ADRD2DRD4
SCHEMBL5392298 0.95 BDKRB1 (0.44) BDKRB1NISCH
Trifluoroacetic Acid SCHEMBL5401874 0.94 BDKRB1 (0.41) BDKRB1NISCH
Trifluoroacetic Acid SCHEMBL5402617 0.94 BDKRB1 (0.41) BDKRB1NISCH
Trifluoroacetic Acid SCHEMBL5385930 0.93 BDKRB1 (0.41) BDKRB1NISCH
Trifluoroacetic Acid SCHEMBL5381693 0.93 BDKRB1 (0.44) BDKRB1NISCH
Trifluoroacetic Acid SCHEMBL5383481 0.92 NISCH (0.46) BDKRB1NISCH
Trifluoroacetic Acid SCHEMBL5378905 0.92 BDKRB1 (0.43) BDKRB1NISCH
SCHEMBL5384846 0.92 BDKRB1 (0.46) BDKRB1NISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291642-B2 Bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-06 US disclosed
US-20060100219-A1 Novel bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 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 (1 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-20060100219-A1 Novel bradykinin-B1 antagonists, process for their preparation and their use as medicaments BDKRB1, BDKRB2, MRGPRX1 BDKRB1 1/4885NISCH 380/4885HTR1A 413/4885

“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.