Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5402587

CN(CCc1ccc(C2=NCCN2)cc1)C(=O)CCCN(C)S(=O)(=O)c1cccc(Br)c1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 15/20 0.48
NISCH Q9Y2I1 2/20 0.37
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
KMT2A Q03164 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
SCHEMBL5382396 0.94 BDKRB1 (0.53) BDKRB1NISCHHDAC3HDAC4HDAC1
Trifluoroacetic Acid SCHEMBL5382691 0.92 BDKRB1 (0.49) BDKRB1NISCH
Trifluoroacetic Acid SCHEMBL5383453 0.92 BDKRB1 (0.51) BDKRB1NISCH
Trifluoroacetic Acid SCHEMBL5382063 0.92 BDKRB1 (0.49) BDKRB1NISCHHDAC3HDAC4HDAC1
Trifluoroacetic Acid SCHEMBL5377539 0.91 BDKRB1 (0.53) BDKRB1NISCH
Trifluoroacetic Acid SCHEMBL5385453 0.91 BDKRB1 (0.52) BDKRB1NISCH
Trifluoroacetic Acid SCHEMBL5393536 0.91 BDKRB1 (0.48) BDKRB1NISCH
Trifluoroacetic Acid SCHEMBL5385921 0.91 BDKRB1 (0.52) BDKRB1NISCH
Trifluoroacetic Acid SCHEMBL5388344 0.88 BDKRB1 (0.53) BDKRB1NISCH
Trifluoroacetic Acid SCHEMBL5381981 0.88 BDKRB1 (0.49) 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 380/4885HDAC3 4254/4885

“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.