Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL302857

CCN(Cc1cc(C(=O)NCCc2ccc(C3=NCCN3)cc2)co1)S(=O)(=O)c1c(C)cc(OC)cc1C.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 10/20 0.45
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
WDR5 P61964 1/20 0.33
HPGD P15428 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
SCHEMBL12346726 0.95 BDKRB1 (0.49) BDKRB1MEN1KMT2AMAPTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL302389 0.88 BDKRB1 (0.47) BDKRB1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2240006 0.88 BDKRB1 (0.56) BDKRB1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2238643 0.87 BDKRB1 (0.47) BDKRB1MEN1KMT2AMAPTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL2238824 0.87 BDKRB1 (0.42) BDKRB1
Trifluoroacetic Acid SCHEMBL2238953 0.87 BDKRB1 (0.53) BDKRB1WDR5
SCHEMBL2237830 0.85 BDKRB1 (0.48) BDKRB1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL302390 0.84 BDKRB1 (0.46) BDKRB1MEN1KMT2AMAPTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL2236875 0.83 BDKRB1 (0.45) BDKRB1WDR5
SCHEMBL2240352 0.83 BDKRB1 (0.54) BDKRB1WDR5

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 1/4885MEN1 231/4885KMT2A 1859/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 BDKRB1 1/4885MEN1 349/4885KMT2A 2057/4885

“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.