Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2238818

COc1cc(C)c(S(=O)(=O)N(C)Cc2cc(C(=O)NCc3ccc(CN4CCCCC4)cc3)co2)c(C)c1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
CACNA1G O43497 2/20 0.38
KCNH2 Q12809 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
CXCR4 P61073 2/20 0.37
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
CXCR3 P49682 1/20 0.36
MLLT1 Q03111 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL2243218 1.00 TSHR (0.42) TSHRKMT2ALMNACACNA1GKCNH2
Trifluoroacetic Acid SCHEMBL2234999 0.98 TSHR (0.43) TSHRKMT2ALMNACACNA1GKCNH2
SCHEMBL12346720 0.95 TSHR (0.47) TSHRKMT2ALMNAKCNH2L3MBTL1
SCHEMBL12346722 0.95 TSHR (0.47) TSHRKMT2ALMNAKCNH2L3MBTL1
SCHEMBL2238958 0.94 TSHR (0.47) TSHRKMT2ALMNAKCNH2L3MBTL1
Trifluoroacetic Acid SCHEMBL302268 0.94 TSHR (0.38) TSHRKMT2ALMNACACNA1GKCNH2
SCHEMBL12346715 0.93 TSHR (0.47) TSHRKMT2ALMNAKCNH2L3MBTL1
Trifluoroacetic Acid SCHEMBL2234903 0.91 DYRK1A (0.35) TSHRKMT2ALMNACACNA1GKCNH2
Trifluoroacetic Acid SCHEMBL2243665 0.91 OPRM1 (0.39) TSHRKMT2ALMNACACNA1GKCNH2
Trifluoroacetic Acid SCHEMBL2238388 0.91 ALDH1A1 (0.38) TSHRKMT2ALMNAOPRM1OPRD1

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 TSHR 962/4885KMT2A 1859/4885LMNA 594/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 TSHR 1030/4885KMT2A 2057/4885LMNA 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.