Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2238264

COc1cc(C)c(S(=O)(=O)N(C)Cc2cc(C(=O)NCc3ccc(CN4CCCCC4C)cc3)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 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC2A1 P11166 1/20 0.36
MLLT1 Q03111 1/20 0.35
BDKRB1 P46663 5/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
CACNA1G O43497 2/20 0.33
CXCR3 P49682 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
SCHEMBL12346719 0.95 SMN1; SMN2 (0.40) MAPTCRHBPCRHR2SMN1; SMN2MLLT1
Trifluoroacetic Acid SCHEMBL2243218 0.89 TSHR (0.42) MLLT1TSHRALDH1A1KMT2ACACNA1G
Trifluoroacetic Acid SCHEMBL2238818 0.89 TSHR (0.42) MLLT1TSHRALDH1A1KMT2ACACNA1G
Trifluoroacetic Acid SCHEMBL2234999 0.88 TSHR (0.43) SMN1; SMN2SLC2A1MLLT1TSHRALDH1A1
Trifluoroacetic Acid SCHEMBL302268 0.84 TSHR (0.38) BDKRB1TSHRKMT2ACACNA1GCXCR3
SCHEMBL2238958 0.84 TSHR (0.47) MAPTSMN1; SMN2MLLT1BDKRB1TSHR
SCHEMBL12346720 0.84 TSHR (0.47) MAPTSMN1; SMN2MLLT1TSHRALDH1A1
SCHEMBL12346722 0.84 TSHR (0.47) MAPTSMN1; SMN2MLLT1TSHRALDH1A1
Trifluoroacetic Acid SCHEMBL2238388 0.83 ALDH1A1 (0.38) MAPTSLC2A1TSHRALDH1A1KMT2A
SCHEMBL12346715 0.83 TSHR (0.47) MAPTSMN1; SMN2MLLT1BDKRB1TSHR

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 MAPT 2733/4885CRHBP 628/4885CRHR2 243/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 MAPT 2466/4885CRHBP 670/4885CRHR2 252/4885

“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.