Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2953642

CC(C)OC(=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 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 5/20 0.37
FABP4 P15090 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
NTSR1 P30989 1/20 0.35
HTR6 P50406 4/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
CBLB Q13191 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
Trifluoroacetic Acid SCHEMBL27739597 1.00 ADRB3 (0.37) ADRB3FABP4ADRB2ADRB1NTSR1
SCHEMBL13240057 0.97 ADRB3 (0.39) ADRB3ADRB2ADRB1NTSR1HTR6
Trifluoroacetic Acid SCHEMBL2941086 0.94 ADRB3 (0.39) ADRB3ADRB2ADRB1NTSR1HTR6
Trifluoroacetic Acid SCHEMBL28775802 0.94 ADRB3 (0.39) ADRB3ADRB2ADRB1NTSR1HTR6
Trifluoroacetic Acid SCHEMBL2948615 0.92 SMN1; SMN2 (0.40) ADRB3ADRB2ADRB1HTR6LMNA
Trifluoroacetic Acid SCHEMBL2944135 0.92 ADRB3 (0.40) ADRB3ADRB2ADRB1NTSR1HTR6
Trifluoroacetic Acid SCHEMBL2948283 0.92 ADRB3 (0.40) ADRB3ADRB2ADRB1NTSR1HTR6
SCHEMBL27739498 0.91 ADRB3 (0.39) ADRB3ADRB2ADRB1NTSR1HTR6
Trifluoroacetic Acid SCHEMBL2945085 0.91 ADRB3 (0.41) ADRB3ADRB2ADRB1NTSR1HTR6
Trifluoroacetic Acid SCHEMBL2951304 0.90 ADRB3 (0.42) ADRB3ADRB2ADRB1NTSR1HTR6

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 2/4885FABP4 2174/4885ADRB2 3/4885

“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.