Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1246054

CC(C)c1nc(C(=O)N2CCOC3(CN(CCc4cccc(CCOCCC(=O)O)c4)C3)C2)cs1.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 11/20 0.55
CHRM3 P20309 11/20 0.55
GAA P10253 1/20 0.36
MGLL Q99685 1/20 0.32
KMT2A Q03164 2/20 0.31
GFER P55789 1/20 0.31
EPHX2 P34913 2/20 0.30
USP19 O94966 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL1245977 0.96 CHRM2 (0.60) CHRM2CHRM3GAAKMT2AGFER
Trifluoroacetic Acid SCHEMBL1246818 0.95 CHRM2 (0.62) CHRM2CHRM3GAAMGLLEPHX2
SCHEMBL1246056 0.91 CHRM2 (0.52) CHRM2CHRM3GAAMGLLKMT2A
SCHEMBL1244873 0.90 CHRM2 (0.67) CHRM2CHRM3GAA
SCHEMBL1247057 0.88 CHRM2 (0.54) CHRM2CHRM3GAAKMT2AGFER
SCHEMBL1246821 0.86 CHRM2 (0.58) CHRM2CHRM3GAAMGLLEPHX2
SCHEMBL1246087 0.84 CHRM2 (0.66) CHRM2CHRM3
SCHEMBL1246858 0.84 CHRM2 (0.64) CHRM2CHRM3GAA
SCHEMBL1246835 0.84 CHRM2 (0.64) CHRM2CHRM3GAAKMT2AGFER
Trifluoroacetic Acid SCHEMBL1246785 0.84 CHRM2 (0.59) CHRM2CHRM3EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
EP-2459572-A2 SPIROCYCLIC AMIDE DERIVATIVES AstraZeneca AB (SE) 2012-06-06 EP disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 WO 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-20130018037-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 CHRM2 157/4885CHRM3 97/4885GAA 2401/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 CHRM2 157/4885CHRM3 97/4885GAA 2401/4885

“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.