Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7869239

COc1ccc2nc3cc(Cl)ccc3c(NCCCNc3c4ccc(Cl)cc4nc4ccc(OC)cc34)c2c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 7/20 0.69
ADORA2A P29274 1/20 0.68
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
MBNL1 Q9NR56 1/20 0.66
PHLPP2 Q6ZVD8 2/20 0.59
HDAC1 Q13547 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
KDM4E B2RXH2 1/20 0.52
CYP19A1 P11511 1/20 0.52
NPC1 O15118 1/20 0.52
USP2 O75604 1/20 0.52
PRNP P04156 1/20 0.52
CHRM2 P08172 1/20 0.52
CHRM4 P08173 1/20 0.52
ABCB1 P08183 1/20 0.52
HTR1A P08908 1/20 0.52
CHRM5 P08912 1/20 0.52
ADRA2A P08913 1/20 0.52

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 SCHEMBL7877725 0.97 ADORA2A (0.72) GSRADORA2AMEN1KMT2ATDP1
Trifluoroacetic Acid SCHEMBL7960593 0.93 ADORA2A (0.67) GSRADORA2AMEN1KMT2ATDP1
Trifluoroacetic Acid SCHEMBL7875800 0.93 GSR (0.72) GSRADORA2AMEN1KMT2ATDP1
Trifluoroacetic Acid SCHEMBL7967139 0.92 ADORA2A (0.66) GSRADORA2AMEN1KMT2ATDP1
SCHEMBL7880398 0.90 MEN1 (0.79) GSRADORA2AMEN1KMT2ATDP1
Trifluoroacetic Acid SCHEMBL30227435 0.90 ADORA2A (0.63) GSRADORA2AMEN1KMT2ATDP1
Trifluoroacetic Acid SCHEMBL7956392 0.90 ADORA2A (0.63) GSRADORA2AMEN1KMT2ATDP1
SCHEMBL7869225 0.88 MBNL1 (0.81) GSRADORA2AMEN1KMT2ATDP1
SCHEMBL18163841 0.87 ADORA2A (0.80) GSRADORA2AMEN1KMT2ATDP1
SCHEMBL20087077 0.87 MBNL1 (0.80) GSRADORA2AMEN1KMT2ATDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4143235-A1 METHODS AND COMPOSITIONS FOR TREATING CYTOKINE STORM INFECTIONS, INCLUDING COVID-19, BY INHIBITING CCR5/CCL5 INTERACTION IncellDx, Inc. (US) 2023-03-08 EP disclosed
WO-2021222069-A1 METHODS AND COMPOSITIONS FOR TREATING CYTOKINE STORM INFECTIONS, INCLUDING COVID-19, BY INHIBITING CCR5/CCL5 INTERACTION INCELLDX, INC. (US) 2021-11-04 WO disclosed
US-20010031763-A1 Substituted bis-acridines and related compounds as CCR5 receptor ligands, anti-inflammatory agents and anti-viral agents SMITHKLINE BEECHAM CORPORATION 2001-10-18 US disclosed
US-6242459-B1 Substituted bis-acridines and related compounds as CCR5 receptor ligands, anti-inflammatory agents and anti-viral agents SMITHKLINE BEECHAM CORPORATION 2001-06-05 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 (1 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-20010031763-A1 Substituted bis-acridines and related compounds as CCR5 receptor ligands, anti-inflammatory agents and anti-viral agents CCR5, CCR2, CCR1 GSR 2496/4885ADORA2A 116/4885MEN1 4216/4885

“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.