Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2212005

CC(C)(C)CN(CCc1ccc(O)c2[nH]c(=O)sc12)CCN(CCC(N)=O)CCc1ccccc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.46
ABCB11 O95342 2/20 0.39
ADRB1 P08588 1/20 0.39
DRD2 P14416 1/20 0.39
PDE4A P27815 1/20 0.39

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
SCHEMBL2209660 0.96 ADRB2 (0.49) ADRB2ABCB11ADRB1DRD2PDE4A
Trifluoroacetic Acid SCHEMBL2212299 0.92 ADRB2 (0.42) ADRB2
SCHEMBL2215508 0.89 ADRB2 (0.43) ADRB2
Trifluoroacetic Acid SCHEMBL2210591 0.88 ADRB2 (0.40) ADRB2ADRB1DRD2
SCHEMBL2208930 0.88 ADRB2 (0.41) ADRB2
SCHEMBL2209516 0.88 ADRB2 (0.50) ADRB2ADRB1DRD2
SCHEMBL2210584 0.88 ADRB2 (0.52) ADRB2
SCHEMBL2211549 0.87 ADRB2 (0.43) ADRB2
SCHEMBL2206680 0.87 ADRB2 (0.41) ADRB2
SCHEMBL2213820 0.87 ADRB2 (0.43) ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121642-B1 4-HYDR0XY-2-0X0-2, 3 -DIHYDRO- 1, 3-BENZOTHIAZOL- 7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2011-07-27 EP disclosed
US-20100249200-A1 Novel Compounds 569 ASTRAZENECA AB (SE) 2010-09-30 US disclosed
US-7700782-B2 Compounds 569 ASTRAZENECA AB (SE) 2010-04-20 US disclosed
US-20100022491-A1 4-HYDROXY-2-OXO-2,3-DIHYDRO-1,3-BENZOTHIAZOL-7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2010-01-28 US disclosed
EP-2121642-A1 4-HYDR0XY-2-0X0-2, 3 -DIHYDRO- 1, 3-BENZOTHIAZOL- 7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY AstraZeneca AB (SE) 2009-11-25 EP disclosed
US-20080207698-A1 Novel Compounds 569 ASTRAZENECA AB (SE) 2008-08-28 US disclosed
WO-2008075026-A1 4-HYDR0XY-2-0X0-2, 3 -DIHYDRO- 1, 3-BENZOTHIAZOL- 7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2008-06-26 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 (3 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-20080207698-A1 Novel Compounds 569 RB1, CNKSR1, CDK9 ADRB2 1549/4885ABCB11 1533/4885ADRB1 788/4885
US-20100022491-A1 4-HYDROXY-2-OXO-2,3-DIHYDRO-1,3-BENZOTHIAZOL-7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY ADRB2, ADRB1, ADRA2C ADRB2 1/4885ABCB11 1088/4885ADRB1 2/4885
US-20100249200-A1 Novel Compounds 569 RB1, CNKSR1, CDK9 ADRB2 1549/4885ABCB11 1533/4885ADRB1 788/4885

“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.