Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2238079

COc1cc(C)c(S(=O)(=O)N(C)Cc2cc(C(=O)N(C)Cc3ccc(CN4CCCC4)c(F)c3)co2)c(C)c1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 1/20 0.35
BDKRB1 P46663 8/20 0.34
ADRB2 P07550 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL12346853 0.96 BDKRB1 (0.37) BDKRB1ADRB2OPRM1OPRD1MEN1
Trifluoroacetic Acid SCHEMBL2238438 0.91 OPRM1 (0.35) BDKRB1OPRM1OPRD1KMT2A
Trifluoroacetic Acid SCHEMBL2238388 0.89 ALDH1A1 (0.38) GPR6ADRB2OPRM1OPRD1KMT2A
Trifluoroacetic Acid SCHEMBL2242187 0.88 BDKRB1 (0.35) BDKRB1MEN1KMT2A
SCHEMBL13495537 0.86 BDKRB1 (0.37) BDKRB1KMT2A
SCHEMBL2237509 0.86 BDKRB1 (0.41) BDKRB1MEN1KMT2AHRH3
Trifluoroacetic Acid SCHEMBL2237238 0.84 CXCR4 (0.35) BDKRB1MEN1KMT2AHRH3
SCHEMBL12346812 0.84 ALDH1A1 (0.40) BDKRB1ADRB2OPRM1OPRD1KMT2A
SCHEMBL2240110 0.84 USP2 (0.40) BDKRB1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL2240339 0.84 CXCR4 (0.38) BDKRB1OPRM1OPRD1KMT2AHRH3

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 GPR6 905/4885BDKRB1 1/4885ADRB2 72/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 GPR6 887/4885BDKRB1 1/4885ADRB2 78/4885

“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.