Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL63294

N#Cc1ccc(CN2CCC(NC(=O)c3ccc4[nH]c5c(c4c3)CN(S(=O)(=O)c3cccnc3)CC5)CC2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 15/20 0.48
PRKAB2 O43741 9/20 0.48
PRKAG1 P54619 9/20 0.48
PRKAA1 Q13131 9/20 0.48
PRKAG3 Q9UGI9 9/20 0.48
PRKAG2 Q9UGJ0 9/20 0.48
PRKAB1 Q9Y478 9/20 0.48
MAPT P10636 1/20 0.46
SLC6A5 Q9Y345 1/20 0.41
WNT1 P04628 1/20 0.41
DYRK1A Q13627 1/20 0.41
DRD4 P21917 1/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40

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
SCHEMBL61866 0.96 PRKAA2 (0.51) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
Trifluoroacetic Acid SCHEMBL63390 0.92 MAPT (0.54) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL62208 0.87 MAPT (0.57) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL62186 0.86 MAPT (0.54) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL68693 0.84 MAPT (0.52) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL63295 0.83 PRKAA2 (0.43) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL61301 0.83 HDAC1 (0.48) MAPTSLC6A5DRD4
Trifluoroacetic Acid SCHEMBL62292 0.82 DRD4 (0.51) SLC6A5DRD4ROCK2ROCK1
SCHEMBL60899 0.80 AKR1B1 (0.56) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL61682 0.80 DRD4 (0.53) SLC6A5DRD4ROCK2ROCK1

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-2231666-B1 Carboxamide, sulfonamide and amine compounds for metabolic disorders RIGEL PHARMACEUTICALS INC (US) 2015-07-29 EP disclosed
US-8895578-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2014-11-25 US disclosed
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2014-02-13 US disclosed
US-8557822-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2013-10-15 US disclosed
US-20120108606-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8129390-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-03-06 US disclosed
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-06-25 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-20120108606-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 PRKAA2 3/4885PRKAB2 5/4885PRKAG1 7/4885
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 PRKAA2 3/4885PRKAB2 5/4885PRKAG1 7/4885
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 PRKAA2 3/4885PRKAB2 5/4885PRKAG1 7/4885

“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.