Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2949974

CN(C)C(=O)COC(=O)c1ccc2c(ccn2CCC(C)(C)NC[C@H](O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 3/20 0.37
HTR6 P50406 4/20 0.36
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 3/20 0.34
MAPT P10636 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
GAA P10253 2/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
RECQL P46063 1/20 0.33
APEX1 P27695 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL13240107 0.97 HTR6 (0.38) ADRB3HTR6ALDH1A1L3MBTL1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL2948615 0.93 SMN1; SMN2 (0.40) ADRB3HTR6SMN1; SMN2MAPTADRB2
Trifluoroacetic Acid SCHEMBL28775802 0.91 ADRB3 (0.39) ADRB3HTR6ADRB2ADRB1
Trifluoroacetic Acid SCHEMBL2941086 0.91 ADRB3 (0.39) ADRB3HTR6ADRB2ADRB1
SCHEMBL13240065 0.89 SMN1; SMN2 (0.42) ADRB3HTR6SMN1; SMN2MAPTADRB2
Trifluoroacetic Acid SCHEMBL2949954 0.89 ADRB3 (0.36) ADRB3HTR6ALDH1A1SMN1; SMN2POLB
Trifluoroacetic Acid SCHEMBL2943684 0.89 ADRB3 (0.39) ADRB3HTR6SMN1; SMN2POLBMAPT
Trifluoroacetic Acid SCHEMBL27739497 0.89 ADRB3 (0.39) ADRB3HTR6SMN1; SMN2POLBMAPT
Trifluoroacetic Acid SCHEMBL2953642 0.89 ADRB3 (0.37) ADRB3HTR6POLBADRB2ADRB1
Trifluoroacetic Acid SCHEMBL27739597 0.89 ADRB3 (0.37) ADRB3HTR6POLBADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754756-B2 Indol-containing beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-13 US disclosed
US-20070105906-A1 Indol-containing beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-10 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-20070105906-A1 Indol-containing beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 ADRB3 2/4885HTR6 172/4885ALDH1A1 708/4885

“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.