Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5398356

CN(CCc1ccc(C2=NCCN2)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 15/20 0.52
VCAM1 P19320 5/20 0.48

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 SCHEMBL5378795 0.96 BDKRB1 (0.52) BDKRB1VCAM1
SCHEMBL5402649 0.95 BDKRB1 (0.57) BDKRB1VCAM1
Trifluoroacetic Acid SCHEMBL5382660 0.91 BDKRB1 (0.56) BDKRB1
SCHEMBL5384286 0.91 BDKRB1 (0.57) BDKRB1VCAM1
Trifluoroacetic Acid SCHEMBL5381889 0.90 BDKRB1 (0.46) BDKRB1VCAM1
Trifluoroacetic Acid SCHEMBL5398360 0.88 BDKRB1 (0.43) BDKRB1
Trifluoroacetic Acid SCHEMBL5381684 0.87 BDKRB1 (0.55) BDKRB1
SCHEMBL5388753 0.87 BDKRB1 (0.48) BDKRB1VCAM1
Trifluoroacetic Acid SCHEMBL5378806 0.87 BDKRB1 (0.41) BDKRB1
Trifluoroacetic Acid SCHEMBL5383525 0.87 BDKRB1 (0.54) 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 BDKRB1 1/4885VCAM1 712/4885

“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.