Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2236586

Cc1cccc(Cl)c1S(=O)(=O)N(Cc1nc(C(=O)N(C)Cc2ccc(CN3CCCC3)cc2)co1)C1CC1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC2A1 P11166 3/20 0.35
RORC P51449 1/20 0.35
CXCR4 P61073 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
APAF1 O14727 1/20 0.34
UBE2N P61088 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TSHR P16473 1/20 0.33
EP300 Q09472 1/20 0.32
HIF1A Q16665 1/20 0.32
ACKR3 P25106 1/20 0.32

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
SCHEMBL12347146 0.96 HTT (0.37) HTTPKMSMN1; SMN2RORCCXCR4
Trifluoroacetic Acid SCHEMBL2237264 0.89 HTT (0.35) HTTPKMSMN1; SMN2SLC2A1RORC
Trifluoroacetic Acid SCHEMBL2240072 0.88 SLC2A1 (0.35) HTTPKMSMN1; SMN2SLC2A1CXCR4
Trifluoroacetic Acid SCHEMBL2236581 0.85 RORC (0.40) HTTPKMSMN1; SMN2SLC2A1RORC
SCHEMBL12347119 0.85 EP300 (0.37) HTTPKMSMN1; SMN2RORCCXCR4
SCHEMBL12347130 0.83 EP300 (0.36) HTTPKMSMN1; SMN2CXCR4APAF1
SCHEMBL2239968 0.82 EP300 (0.41) CXCR4KMT2AEP300HIF1A
SCHEMBL12347158 0.82 RORC (0.41) HTTPKMSMN1; SMN2RORCCXCR4
Trifluoroacetic Acid SCHEMBL2237275 0.80 BDKRB1 (0.43)
SCHEMBL1934169 0.79 RORC (0.37) RORCHDAC8HDAC6TSHR

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 HTT 2939/4885PKM 1146/4885SMN1; SMN2 4510/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 HTT 3144/4885PKM 1318/4885SMN1; SMN2 4544/4885

“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.