Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL62773

O=C(NC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc2[nH]c3c(c2c1)CN(Cc1ccc(C(F)(F)F)cc1)CC3.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
TGM2 P21980 2/20 0.46
DRD4 P21917 1/20 0.45
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
AKR1B1 P15121 1/20 0.43
HTR6 P50406 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
CCR2 P41597 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL69228 0.97 HDAC1 (0.51) HDAC1HDAC6TGM2DRD4LMNA
SCHEMBL61434 0.94 HDAC1 (0.54) HDAC1HDAC6TGM2DRD4LMNA
SCHEMBL61033 0.92 HDAC1 (0.57) HDAC1HDAC6TGM2DRD4LMNA
SCHEMBL61592 0.89 HDAC1 (0.49) HDAC1HDAC6TGM2DRD4LMNA
SCHEMBL61149 0.89 HDAC1 (0.51) HDAC1HDAC6TGM2DRD4LMNA
Trifluoroacetic Acid SCHEMBL62292 0.88 DRD4 (0.51) DRD4LMNASMN1; SMN2SLC6A5
SCHEMBL61301 0.86 HDAC1 (0.48) HDAC1HDAC6TGM2DRD4LMNA
SCHEMBL62750 0.86 HDAC1 (0.60) HDAC1HDAC6DRD4AKR1B1SLC6A5
SCHEMBL61682 0.86 DRD4 (0.53) DRD4LMNASMN1; SMN2SLC6A5
SCHEMBL61624 0.85 HDAC1 (0.47) HDAC1HDAC6TGM2DRD4LMNA

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 HDAC1 753/4885HDAC6 574/4885TGM2 1622/4885
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 HDAC1 753/4885HDAC6 574/4885TGM2 1622/4885
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 HDAC1 753/4885HDAC6 574/4885TGM2 1622/4885

“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.