Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2209261

O=C(CCNCCc1cccc(O)c1)N(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C1CCCCC1.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 2)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 4/20 0.52
ADRB2 P07550 16/20 0.51

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
Trifluoroacetic Acid SCHEMBL2212464 1.00 SMYD2 (0.52) SMYD2ADRB2
SCHEMBL2212701 0.95 SMYD2 (0.55) SMYD2ADRB2
SCHEMBL2213109 0.95 SMYD2 (0.55) SMYD2ADRB2
SCHEMBL2209883 0.95 SMYD2 (0.55) SMYD2ADRB2
Trifluoroacetic Acid SCHEMBL2213357 0.94 SMYD2 (0.52) SMYD2ADRB2
Trifluoroacetic Acid SCHEMBL2213234 0.93 SMYD2 (0.51) SMYD2ADRB2
Trifluoroacetic Acid SCHEMBL2208356 0.93 ADRB2 (0.58) SMYD2ADRB2
Trifluoroacetic Acid SCHEMBL2212522 0.92 SMYD2 (0.52) SMYD2ADRB2
Trifluoroacetic Acid SCHEMBL2211966 0.92 ADRB2 (0.49) SMYD2ADRB2
Trifluoroacetic Acid SCHEMBL2209373 0.91 ADRB2 (0.57) SMYD2ADRB2

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 5 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
US-20080207698-A1 Novel Compounds 569 ASTRAZENECA AB (SE) 2008-08-28 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 (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 SMYD2 3840/4885ADRB2 1549/4885
US-20100022491-A1 4-HYDROXY-2-OXO-2,3-DIHYDRO-1,3-BENZOTHIAZOL-7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY ADRB2, ADRB1, ADRA2C SMYD2 3657/4885ADRB2 1/4885
US-20100249200-A1 Novel Compounds 569 RB1, CNKSR1, CDK9 SMYD2 3840/4885ADRB2 1549/4885

“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.