Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2948619

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

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
ADRB3 P13945 4/20 0.38
PPARG P37231 4/20 0.37
EPHX2 P34913 2/20 0.37
HTR6 P50406 3/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
EGFR P00533 1/20 0.35
FGFR1 P11362 1/20 0.35
KDR P35968 1/20 0.35
RORC P51449 1/20 0.35
NTSR1 P30989 1/20 0.35
MAPT P10636 1/20 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
SCHEMBL2945047 0.96 ADRB3 (0.40) GAAADRB3PPARGHTR6ADRB2
Trifluoroacetic Acid SCHEMBL2946086 0.94 ADRB3 (0.38) ADRB3PPARGEPHX2HTR6EGFR
Trifluoroacetic Acid SCHEMBL2951304 0.94 ADRB3 (0.42) ADRB3PPARGEPHX2HTR6ADRB2
Trifluoroacetic Acid SCHEMBL2948283 0.94 ADRB3 (0.40) ADRB3PPARGHTR6ADRB2ADRB1
Trifluoroacetic Acid SCHEMBL2944135 0.94 ADRB3 (0.40) ADRB3PPARGHTR6ADRB2ADRB1
Trifluoroacetic Acid SCHEMBL2945085 0.93 ADRB3 (0.41) ADRB3PPARGEPHX2HTR6ADRB2
Trifluoroacetic Acid SCHEMBL2949521 0.92 F2 (0.40) ADRB3
Trifluoroacetic Acid SCHEMBL27739570 0.92 F2 (0.40) ADRB3
Trifluoroacetic Acid SCHEMBL2949522 0.92 ADRB3 (0.37) ADRB3PPARGEPHX2HTR6ADRB2
Trifluoroacetic Acid SCHEMBL27718494 0.92 ADRB3 (0.37) ADRB3PPARGEPHX2HTR6ADRB2

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-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
EP-1943220-A2 NOVEL INDOLE-CONTAINING BETA AGONISTS, METHOD FOR PRODUCING THEM AND THEIR USE AS DRUGS Boehringer Ingelheim International GmbH (DE) 2008-07-16 EP 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
WO-2007048841-A2 NOVEL INDOLE-CONTAINING BETA AGONISTS, METHOD FOR PRODUCING THEM AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 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 (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 GAA 2668/4885ADRB3 2/4885PPARG 662/4885

“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.