Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2950337

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

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.39
HTR6 P50406 4/20 0.37
NTSR1 P30989 1/20 0.37
ADRB3 P13945 2/20 0.36
BRD4 O60885 1/20 0.34
BRD1 O95696 1/20 0.34
BRPF1 P55201 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
BRPF3 Q9ULD4 1/20 0.34
IDH1 O75874 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
SCHEMBL2948634 0.97 RORC (0.41) RORCHTR6NTSR1ADRB3BRD4
SCHEMBL2948629 0.97 RORC (0.41) RORCHTR6NTSR1ADRB3BRD4
SCHEMBL2948632 0.97 RORC (0.41) RORCHTR6NTSR1ADRB3BRD4
Trifluoroacetic Acid SCHEMBL2950710 0.91 IDH1 (0.41) RORCHTR6NTSR1ADRB3BRD4
Trifluoroacetic Acid SCHEMBL2944666 0.91 RORC (0.40) RORCHTR6NTSR1ADRB3BRD4
Trifluoroacetic Acid SCHEMBL2943606 0.90 HTR6 (0.39) RORCHTR6NTSR1ADRB3BRD4
Trifluoroacetic Acid SCHEMBL2949058 0.90 HTR6 (0.39) RORCHTR6NTSR1ADRB3BRD4
Trifluoroacetic Acid SCHEMBL2945849 0.90 ADRB3 (0.42) HTR6NTSR1ADRB3BRD4BRD1
Trifluoroacetic Acid SCHEMBL4618142 0.89 HTR6 (0.39) RORCHTR6NTSR1ADRB3BRD4
Trifluoroacetic Acid SCHEMBL2949757 0.89 KCNQ3 (0.44) RORCHTR6NTSR1ADRB3

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 RORC 221/4885HTR6 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.