Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5377376

CN(CCc1ccc(C2=NCCN2)cc1)C(=O)CCNCS(=O)(=O)c1cccc2nonc12.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.41
KMT2A Q03164 5/20 0.41
MAPK1 P28482 1/20 0.41
BDKRB1 P46663 8/20 0.40
TSHR P16473 1/20 0.37
RECQL P46063 2/20 0.37
HTT P42858 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
SCHEMBL5393802 0.95 ALDH1A1 (0.43) ALDH1A1KMT2AMAPK1BDKRB1TSHR
Trifluoroacetic Acid SCHEMBL5393264 0.86 BDKRB1 (0.44) BDKRB1
Trifluoroacetic Acid SCHEMBL5379698 0.85 BDKRB1 (0.44) BDKRB1
Trifluoroacetic Acid SCHEMBL5388730 0.85 BDKRB1 (0.40) BDKRB1
Trifluoroacetic Acid SCHEMBL5378905 0.85 BDKRB1 (0.43) BDKRB1
Trifluoroacetic Acid SCHEMBL5392328 0.84 BDKRB1 (0.48) BDKRB1
Trifluoroacetic Acid SCHEMBL5424150 0.84 BDKRB1 (0.42) BDKRB1
Trifluoroacetic Acid SCHEMBL5388775 0.83 BDKRB1 (0.41) BDKRB1
Trifluoroacetic Acid SCHEMBL5381782 0.83 BDKRB1 (0.39) BDKRB1
Trifluoroacetic Acid SCHEMBL5388745 0.82 BDKRB1 (0.45) BDKRB1

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 ALDH1A1 3179/4885KMT2A 2730/4885MAPK1 482/4885

“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.