Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2239201

COc1cc(C)c(S(=O)(=O)N(Cc2cc(C(=O)N3CCN(CCc4ccncc4)CC3)co2)C2CC2)c(C)c1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.40
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.38
DRD3 P35462 1/20 0.37
GSK3B P49841 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
BDKRB1 P46663 3/20 0.35
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
LSS P48449 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL12346732 0.95 THRB (0.43) THRBPOLBLMNADRD3MEN1
Trifluoroacetic Acid SCHEMBL2241541 0.89 TP53 (0.42) THRBLMNADRD3MEN1KMT2A
Trifluoroacetic Acid SCHEMBL2237417 0.89 BDKRB1 (0.38) MEN1KMT2ACYP3A4BDKRB1
Trifluoroacetic Acid SCHEMBL2236099 0.88 BDKRB1 (0.38) MEN1KMT2ABDKRB1
Trifluoroacetic Acid SCHEMBL2242040 0.88 BDKRB1 (0.40) LMNAMEN1KMT2ABDKRB1DRD2
Trifluoroacetic Acid SCHEMBL2237661 0.87 KDM4E (0.44) POLBLMNAMEN1KMT2A
Trifluoroacetic Acid SCHEMBL2243351 0.86 BDKRB1 (0.39) MEN1KMT2ABDKRB1DRD2HTR2A
Trifluoroacetic Acid SCHEMBL2239467 0.86 BDKRB1 (0.49) BDKRB1HTR2A
SCHEMBL2236784 0.86 THRB (0.46) THRBPOLBLMNADRD3MEN1
Trifluoroacetic Acid SCHEMBL2240559 0.85 BDKRB1 (0.50) MEN1KMT2ABDKRB1

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 THRB 391/4885POLB 2370/4885LMNA 594/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 THRB 421/4885POLB 2675/4885LMNA 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.