Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4830634

CC(C)(CCn1cnc2nc(C(=O)O)ccc21)NCC(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 9)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.40
ADRB2 P07550 3/20 0.36
ADRB1 P08588 2/20 0.36
HPGD P15428 1/20 0.35
CBLB Q13191 3/20 0.35
NR1I2 O75469 1/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
ADRA1A P35348 1/20 0.33

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
SCHEMBL4837960 0.96 ADRB3 (0.42) ADRB3ADRB2ADRB1HPGDNR1I2
Trifluoroacetic Acid SCHEMBL4892203 0.92 ADRB3 (0.40) ADRB3ADRB2ADRB1HPGDCBLB
SCHEMBL4891893 0.91 ADRB3 (0.42) ADRB3ADRB2ADRB1HPGDCBLB
SCHEMBL4894375 0.90 ADRB3 (0.41) ADRB3ADRB2ADRB1HPGDNR1I2
SCHEMBL4891889 0.89 ADRB3 (0.36) ADRB3HPGDCBLBNR1I2KEAP1
Trifluoroacetic Acid SCHEMBL4778942 0.89 ADRB3 (0.41) ADRB3ADRB2ADRB1HPGDCBLB
SCHEMBL4892955 0.88 ADRB3 (0.41) ADRB3ADRB2ADRB1HPGDNR1I2
Trifluoroacetic Acid SCHEMBL4777048 0.87 ADRB3 (0.41) ADRB3ADRB2ADRB1HPGDCBLB
Trifluoroacetic Acid SCHEMBL4840585 0.87 ADRB3 (0.41) ADRB3ADRB2ADRB1HPGDNR1I2
Trifluoroacetic Acid SCHEMBL4644337 0.86 ADRB3 (0.42) ADRB3HPGDNR1I2KEAP1NFE2L2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269281-A1 Novel Beta-Agonists, Method for Producing Them and Their Use as Drugs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-30 US disclosed
EP-1945304-A2 IMIDAZO-PYRIDINE CONTAINING BETA AGONISTS, METHOD FOR PRODUCING THEM AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-23 EP disclosed
WO-2007048843-A2 IMIDAZO-PYRIDINE 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-20080269281-A1 Novel Beta-Agonists, Method for Producing Them and Their Use as Drugs ADRB3, ADRB2, ADRB1 ADRB3 1/4885ADRB2 2/4885ADRB1 3/4885

“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.