Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2237503

CN(CCc1ccc(C2=NCCN2)cc1)C(=O)c1coc(CN(C2CC2)S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 16/20 0.40
ITGA4 P13612 1/20 0.34
NISCH Q9Y2I1 1/20 0.31

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
SCHEMBL12347116 0.96 BDKRB1 (0.42) BDKRB1ITGA4NISCH
Trifluoroacetic Acid SCHEMBL2241974 0.94 BDKRB1 (0.46) BDKRB1
Trifluoroacetic Acid SCHEMBL2238800 0.92 BDKRB1 (0.41) BDKRB1ITGA4
Trifluoroacetic Acid SCHEMBL2237275 0.90 BDKRB1 (0.43) BDKRB1
SCHEMBL12347101 0.90 BDKRB1 (0.49) BDKRB1NISCH
Trifluoroacetic Acid SCHEMBL302498 0.89 BDKRB1 (0.39) BDKRB1
SCHEMBL12347107 0.88 BDKRB1 (0.43) BDKRB1
Trifluoroacetic Acid SCHEMBL2237433 0.86 BDKRB1 (0.51) BDKRB1
SCHEMBL12347140 0.86 BDKRB1 (0.46) BDKRB1NISCH
SCHEMBL12347129 0.85 BDKRB1 (0.41) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US claimed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US claimed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 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 (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-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 BDKRB1 1/4885ITGA4 3165/4885NISCH 337/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 BDKRB1 1/4885ITGA4 2672/4885NISCH 317/4885

“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.