Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2240339

CCN(Cc1ccc(CN2CCCC2)cc1)C(=O)c1coc(CN(C)S(=O)(=O)c2c(C)cc(OC)cc2C)c1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.38
BDKRB1 P46663 5/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC2A1 P11166 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL12346798 0.95 CXCR4 (0.39) CXCR4BDKRB1LMNAKMT2AHRH3
Trifluoroacetic Acid SCHEMBL3233123 0.90 OPRM1 (0.37) LMNAKMT2ASLC2A1OPRM1OPRD1
Trifluoroacetic Acid SCHEMBL2237238 0.88 CXCR4 (0.35) CXCR4BDKRB1LMNAKMT2ASLC2A1
SCHEMBL2237509 0.86 BDKRB1 (0.41) CXCR4BDKRB1LMNAKMT2AHRH3
Trifluoroacetic Acid SCHEMBL2238438 0.86 OPRM1 (0.35) CXCR4BDKRB1LMNAKMT2AOPRM1
Trifluoroacetic Acid SCHEMBL2238818 0.85 TSHR (0.42) CXCR4LMNAKMT2AHRH3OPRM1
Trifluoroacetic Acid SCHEMBL2243218 0.85 TSHR (0.42) CXCR4LMNAKMT2AHRH3OPRM1
Trifluoroacetic Acid SCHEMBL2234999 0.85 TSHR (0.43) LMNAKMT2ASLC2A1KCNH2
Trifluoroacetic Acid SCHEMBL2242187 0.84 BDKRB1 (0.35) BDKRB1KMT2A
Trifluoroacetic Acid SCHEMBL2238079 0.84 GPR6 (0.35) BDKRB1KMT2AHRH3OPRM1OPRD1

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 CXCR4 220/4885BDKRB1 1/4885LMNA 594/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 CXCR4 210/4885BDKRB1 1/4885LMNA 704/4885

“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.