Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL302290

COc1cc(C)c(S(=O)(=O)N(Cc2cc(C(=O)N3CCN(CC4CCCN(C)C4)CC3)co2)C2CC2)c(C)c1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 13/20 0.42
CCR2 P41597 2/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SLC2A1 P11166 1/20 0.32

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
SCHEMBL12346730 0.95 BDKRB1 (0.45) BDKRB1CCR2KCNH2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL2240559 0.92 BDKRB1 (0.50) BDKRB1MEN1KMT2AALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL2237417 0.90 BDKRB1 (0.38) BDKRB1MEN1KMT2AALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL2236099 0.89 BDKRB1 (0.38) BDKRB1MEN1KMT2AALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL2242040 0.88 BDKRB1 (0.40) BDKRB1KCNH2MEN1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL2240775 0.87 BDKRB1 (0.41) BDKRB1CCR2KCNH2MEN1KMT2A
SCHEMBL2238016 0.87 BDKRB1 (0.53) BDKRB1CCR2KCNH2
SCHEMBL2236258 0.87 BDKRB1 (0.54) BDKRB1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL2243351 0.87 BDKRB1 (0.39) BDKRB1MEN1KMT2AALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL2236213 0.86 BDKRB1 (0.40) BDKRB1MEN1KMT2AALDH1A1KDM4E

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 8 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
JP-2012500783-A 2012-01-12 JP claimed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US claimed
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 EP claimed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 WO 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 1/4885CCR2 866/4885KCNH2 148/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 BDKRB1 1/4885CCR2 792/4885KCNH2 156/4885

“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.