Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2945849

CC(C)(CCn1ccc2cc(NS(C)(=O)=O)ccc21)NC[C@H](O)c1cccc(NS(=O)(=O)c2ccccc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 5/20 0.42
HTR6 P50406 4/20 0.41
NTSR1 P30989 3/20 0.39
BRD4 O60885 1/20 0.39
BRD1 O95696 1/20 0.39
BRPF1 P55201 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
BRPF3 Q9ULD4 1/20 0.39
ADRB2 P07550 3/20 0.38
ADRB1 P08588 1/20 0.37

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
SCHEMBL13240080 0.95 HTR6 (0.45) ADRB3HTR6NTSR1BRD4BRD1
Trifluoroacetic Acid SCHEMBL2945851 0.95 ADRB3 (0.43) ADRB3HTR6NTSR1BRD4BRD1
Trifluoroacetic Acid SCHEMBL2950710 0.94 IDH1 (0.41) ADRB3HTR6NTSR1BRD4BRD1
Trifluoroacetic Acid SCHEMBL2944666 0.94 RORC (0.40) ADRB3HTR6NTSR1BRD4BRD1
Trifluoroacetic Acid SCHEMBL2943606 0.93 HTR6 (0.39) ADRB3HTR6NTSR1BRD4BRD1
Trifluoroacetic Acid SCHEMBL2949058 0.93 HTR6 (0.39) ADRB3HTR6NTSR1BRD4BRD1
Trifluoroacetic Acid SCHEMBL4618142 0.92 HTR6 (0.39) ADRB3HTR6NTSR1BRD4BRD1
Trifluoroacetic Acid SCHEMBL2948283 0.92 ADRB3 (0.40) ADRB3HTR6NTSR1ADRB2ADRB1
Trifluoroacetic Acid SCHEMBL2944135 0.92 ADRB3 (0.40) ADRB3HTR6NTSR1ADRB2ADRB1
Trifluoroacetic Acid SCHEMBL2951210 0.92 ADRB3 (0.41) ADRB3HTR6NTSR1ADRB2ADRB1

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 172/4885NTSR1 121/4885

“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.