Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6524593

CC(C)c1nc(C(=O)N2CCOC3(CCN(Cc4cccc(CCOCCC(=O)N(CCNCCc5ccc(O)c6c5OCC(=O)N6)C5CCCCC5)c4Cl)CC3)C2)cs1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 9/20 0.46
CHRM3 P20309 10/20 0.45
CHRM2 P08172 9/20 0.45
ADRB2 P07550 2/20 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
SCHEMBL12847000 0.97 SMYD2 (0.47) SMYD2CHRM3CHRM2ADRB2
Trifluoroacetic Acid SCHEMBL6522111 0.95 SMYD2 (0.46) SMYD2CHRM3CHRM2ADRB2
Trifluoroacetic Acid SCHEMBL6525765 0.95 SMYD2 (0.46) SMYD2CHRM3CHRM2ADRB2
Trifluoroacetic Acid SCHEMBL6525747 0.93 SMYD2 (0.46) SMYD2CHRM3CHRM2ADRB2
SCHEMBL12846795 0.93 SMYD2 (0.47) SMYD2CHRM3CHRM2ADRB2
Trifluoroacetic Acid SCHEMBL6518054 0.92 SMYD2 (0.51) SMYD2CHRM3CHRM2ADRB2
SCHEMBL12847210 0.92 CHRM3 (0.47) SMYD2CHRM3CHRM2ADRB2
Trifluoroacetic Acid SCHEMBL6520936 0.91 SMYD2 (0.48) SMYD2CHRM3CHRM2ADRB2
Trifluoroacetic Acid SCHEMBL6525813 0.91 CHRM3 (0.45) SMYD2CHRM3CHRM2ADRB2
Trifluoroacetic Acid SCHEMBL6519101 0.91 SMYD2 (0.46) SMYD2CHRM3CHRM2ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459572-B1 SPIROCYCLIC AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2018-09-12 EP disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 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-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 SMYD2 2372/4885CHRM3 97/4885CHRM2 157/4885

“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.