Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3586140

O=C(CCNCCc1cccc(Cl)c1)N(CCNCCc1ccc(O)c2[nH]c(=O)ccc12)C1CCCCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 11/20 0.51
ADRB2 P07550 8/20 0.44
ADRB1 P08588 3/20 0.43
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42

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 SCHEMBL3587100 1.00 SMYD2 (0.51) SMYD2ADRB2ADRB1DRD2DRD1
SCHEMBL3590610 0.95 SMYD2 (0.54) SMYD2ADRB2ADRB1DRD2DRD1
SCHEMBL3605435 0.95 SMYD2 (0.54) SMYD2ADRB2ADRB1DRD2DRD1
Trifluoroacetic Acid SCHEMBL3594748 0.92 SMYD2 (0.52) SMYD2ADRB2ADRB1DRD2DRD1
Trifluoroacetic Acid SCHEMBL3596968 0.92 SMYD2 (0.59) SMYD2ADRB2ADRB1DRD2DRD1
Trifluoroacetic Acid SCHEMBL3594188 0.92 SMYD2 (0.53) SMYD2ADRB2ADRB1DRD2DRD1
Trifluoroacetic Acid SCHEMBL3594862 0.92 SMYD2 (0.51) SMYD2ADRB2ADRB1DRD2DRD1
Trifluoroacetic Acid SCHEMBL3604788 0.92 SMYD2 (0.52) SMYD2ADRB2ADRB1DRD2DRD1
Trifluoroacetic Acid SCHEMBL3596704 0.92 SMYD2 (0.52) SMYD2ADRB2ADRB1DRD2DRD1
Trifluoroacetic Acid SCHEMBL3594609 0.90 SMYD2 (0.49) SMYD2ADRB2ADRB1DRD2DRD1

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
US-20120142646-A1 Novel Compounds 621 ASTRAZENECA AB (SE) 2012-06-07 US disclosed
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ASTRAZENECA AB (SE) 2010-03-04 US disclosed
EP-2094646-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES AstraZeneca AB (SE) 2009-09-02 EP disclosed
WO-2008075025-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ASTRAZENECA AB (SE) 2008-06-26 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-20120142646-A1 Novel Compounds 621 AR, ADRA1D, ADRA1B SMYD2 3203/4885ADRB2 18/4885ADRB1 4/4885
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ADRB2, ADRB1, ADRA2A SMYD2 1024/4885ADRB2 1/4885ADRB1 2/4885

“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.