Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2948615

CCOC(=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 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 3/20 0.39
ADRB3 P13945 3/20 0.39
MAPT P10636 1/20 0.37
DDX3X O00571 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
HTR6 P50406 1/20 0.36
TP53 P04637 1/20 0.35
NHERF1 O14745 1/20 0.35

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
SCHEMBL13240065 0.97 SMN1; SMN2 (0.42) SMN1; SMN2LMNAADRB3MAPTDDX3X
Trifluoroacetic Acid SCHEMBL2941086 0.94 ADRB3 (0.39) ADRB3ADRB2ADRB1HTR6
Trifluoroacetic Acid SCHEMBL28775802 0.94 ADRB3 (0.39) ADRB3ADRB2ADRB1HTR6
Trifluoroacetic Acid SCHEMBL27739497 0.94 ADRB3 (0.39) SMN1; SMN2ADRB3MAPTHTR6TP53
Trifluoroacetic Acid SCHEMBL2943684 0.94 ADRB3 (0.39) SMN1; SMN2ADRB3MAPTHTR6TP53
Trifluoroacetic Acid SCHEMBL2949974 0.93 ADRB3 (0.37) SMN1; SMN2ADRB3MAPTADRB2ADRB1
Trifluoroacetic Acid SCHEMBL27739597 0.92 ADRB3 (0.37) LMNAADRB3ADRB2ADRB1HTR6
Trifluoroacetic Acid SCHEMBL2953642 0.92 ADRB3 (0.37) LMNAADRB3ADRB2ADRB1HTR6
Trifluoroacetic Acid SCHEMBL2948283 0.92 ADRB3 (0.40) ADRB3ADRB2ADRB1HTR6
Trifluoroacetic Acid SCHEMBL2944135 0.92 ADRB3 (0.40) ADRB3ADRB2ADRB1HTR6

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 SMN1; SMN2 2983/4885LMNA 816/4885ADRB3 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.