Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2238438

COc1cc(C)c(S(=O)(=O)N(C)Cc2cc(C(=O)N(C)Cc3cc(CN4CCCC4)ccc3F)co2)c(C)c1.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
BDKRB1 P46663 7/20 0.34
CXCR4 P61073 2/20 0.33
HTR2C P28335 1/20 0.33
MCHR1 Q99705 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
BCL2A1 Q16548 1/20 0.33
WDR5 P61964 1/20 0.33

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
SCHEMBL13495537 0.96 BDKRB1 (0.37) BDKRB1HTR2CMCHR1LMNAKMT2A
Trifluoroacetic Acid SCHEMBL2238079 0.91 GPR6 (0.35) OPRM1OPRD1BDKRB1KMT2A
Trifluoroacetic Acid SCHEMBL2243665 0.90 OPRM1 (0.39) OPRM1OPRD1OPRK1LMNAKMT2A
Trifluoroacetic Acid SCHEMBL2242187 0.89 BDKRB1 (0.35) BDKRB1KMT2A
SCHEMBL2237509 0.86 BDKRB1 (0.41) BDKRB1CXCR4LMNAKMT2A
Trifluoroacetic Acid SCHEMBL3233123 0.86 OPRM1 (0.37) OPRM1OPRD1OPRK1LMNAKMT2A
SCHEMBL12346853 0.86 BDKRB1 (0.37) OPRM1OPRD1BDKRB1KMT2A
Trifluoroacetic Acid SCHEMBL2240339 0.86 CXCR4 (0.38) OPRM1OPRD1BDKRB1CXCR4LMNA
Trifluoroacetic Acid SCHEMBL2237238 0.85 CXCR4 (0.35) BDKRB1CXCR4LMNAKMT2A
SCHEMBL3236209 0.85 LMNA (0.38) BDKRB1MCHR1LMNAKMT2ABCL2A1

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 OPRM1 503/4885OPRD1 576/4885OPRK1 198/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 OPRM1 442/4885OPRD1 440/4885OPRK1 162/4885

“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.