Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2949757

CCCCCC(=O)Nc1ccc2c(ccn2CCC(C)(C)NC[C@H](O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
KCNQ4 P56696 1/20 0.44
KCNQ5 Q9NR82 1/20 0.44
ADRB3 P13945 4/20 0.40
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
RORC P51449 5/20 0.40
HTR6 P50406 3/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
NTSR1 P30989 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL13240081 0.97 KCNQ3 (0.43) KCNQ3KCNQ2KCNQ4KCNQ5ADRB3
Trifluoroacetic Acid SCHEMBL2945683 0.91 GHSR (0.46) ADRB3ADRB2ADRB1
Trifluoroacetic Acid SCHEMBL2944666 0.90 RORC (0.40) ADRB3RORCHTR6NTSR1KDM4E
Trifluoroacetic Acid SCHEMBL2950710 0.90 IDH1 (0.41) ADRB3RORCHTR6NTSR1
Trifluoroacetic Acid SCHEMBL2943606 0.89 HTR6 (0.39) ADRB3RORCHTR6NTSR1
Trifluoroacetic Acid SCHEMBL2949058 0.89 HTR6 (0.39) ADRB3ADRB2ADRB1RORCHTR6
Trifluoroacetic Acid SCHEMBL2945849 0.89 ADRB3 (0.42) ADRB3ADRB2ADRB1HTR6NTSR1
Trifluoroacetic Acid SCHEMBL2950337 0.89 RORC (0.39) ADRB3RORCHTR6NTSR1
Trifluoroacetic Acid SCHEMBL4618142 0.89 HTR6 (0.39) ADRB3RORCHTR6NTSR1
SCHEMBL13240077 0.87 GHSR (0.49) ADRB3ADRB2ADRB1

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 KCNQ3 1913/4885KCNQ2 1871/4885KCNQ4 2521/4885

“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.