Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2236229

COc1cc(C)c(S(=O)(=O)N(C)Cc2cc(C(=O)NCc3ccc(CNCc4ccncc4)cc3)co2)c(C)c1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GSK3B P49841 4/20 0.42
CDK2 P24941 2/20 0.38
CXCR3 P49682 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL12346712 0.94 PKM (0.48) PKMMEN1KMT2AGSK3BCDK2
Trifluoroacetic Acid SCHEMBL2234999 0.85 TSHR (0.43) KMT2ACXCR3LMNASMN1; SMN2
Trifluoroacetic Acid SCHEMBL2238818 0.84 TSHR (0.42) KMT2ACXCR3LMNA
Trifluoroacetic Acid SCHEMBL2243218 0.84 TSHR (0.42) KMT2ACXCR3LMNA
Trifluoroacetic Acid SCHEMBL2236181 0.84 BDKRB1 (0.40) PKMCXCR3LMNA
Trifluoroacetic Acid SCHEMBL1936321 0.84 BDKRB1 (0.40) PKMCXCR3LMNA
SCHEMBL13495606 0.83 CXCR3 (0.41) PKMMEN1KMT2ACXCR3SMN1; SMN2
Trifluoroacetic Acid SCHEMBL2238264 0.81 MAPT (0.37) MEN1KMT2ACXCR3SMN1; SMN2
Trifluoroacetic Acid SCHEMBL3263454 0.80 BDKRB1 (0.37) PKMMEN1KMT2ACXCR3LMNA
Trifluoroacetic Acid SCHEMBL2238388 0.80 ALDH1A1 (0.38) KMT2ALMNAGAA

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 PKM 1146/4885MEN1 231/4885KMT2A 1859/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 PKM 1318/4885MEN1 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.