Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2239947

CCN(Cc1cc(C(=O)N(C)Cc2ccc(CN3CCCC3)cc2)co1)S(=O)(=O)c1c(Cl)cccc1Cl.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.42
UBE2N P61088 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CXCR4 P61073 2/20 0.37
HTT P42858 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MCHR1 Q99705 2/20 0.35
PKM P14618 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SLC2A1 P11166 1/20 0.34
DAGLA Q9Y4D2 1/20 0.34
HTR2C P28335 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
SCHEMBL12346746 0.94 APAF1 (0.44) APAF1UBE2NMEN1KMT2ACXCR4
Trifluoroacetic Acid SCHEMBL2237238 0.87 CXCR4 (0.35) APAF1UBE2NMEN1KMT2ACXCR4
SCHEMBL12346723 0.81 KMT2A (0.39) APAF1UBE2NMEN1KMT2ACXCR4
Trifluoroacetic Acid SCHEMBL1936474 0.77 TP53 (0.40) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL1935797 0.75 KMT2A (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL2240339 0.74 CXCR4 (0.38) KMT2ACXCR4LMNASLC2A1
SCHEMBL2237509 0.72 BDKRB1 (0.41) APAF1UBE2NMEN1KMT2ACXCR4
Trifluoroacetic Acid SCHEMBL2238438 0.72 OPRM1 (0.35) KMT2ACXCR4MCHR1LMNAHTR2C
Trifluoroacetic Acid SCHEMBL2242187 0.71 BDKRB1 (0.35) MEN1KMT2AHTTKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL2238079 0.71 GPR6 (0.35) MEN1KMT2A

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 APAF1 1676/4885UBE2N 2974/4885MEN1 231/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 APAF1 1567/4885UBE2N 2772/4885MEN1 349/4885

“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.