Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL62830

CC(=O)n1c2c(c3cc(C(=O)NC4CCN(Cc5cccnc5)CC4)ccc31)CN(Cc1ccc(C(F)(F)F)cc1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 2/20 0.56
DRD4 P21917 5/20 0.49
HIF1A Q16665 5/20 0.48
EPAS1 Q99814 5/20 0.48
DRD2 P14416 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CXCR4 P61073 1/20 0.44
SIGMAR1 Q99720 3/20 0.43
SMO Q99835 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
SCHEMBL61506 0.97 SLC6A5 (0.58) SLC6A5DRD4HIF1AEPAS1DRD2
SCHEMBL62031 0.89 SLC6A5 (0.60) SLC6A5DRD4HIF1AEPAS1DRD2
SCHEMBL15473187 0.86 SLC6A5 (0.56) SLC6A5DRD4HIF1AEPAS1DRD2
SCHEMBL61321 0.81 DRD4 (0.59) SLC6A5DRD4DRD2MEN1KMT2A
SCHEMBL61841 0.80 SLC6A5 (0.61) SLC6A5DRD4HIF1AEPAS1DRD2
SCHEMBL69676 0.76 DRD4 (0.51) SLC6A5DRD4DRD2MEN1KMT2A
SCHEMBL61238 0.76 DRD4 (0.53) SLC6A5DRD4DRD2
SCHEMBL61826 0.73 DRD4 (0.61) SLC6A5DRD4DRD2MEN1KMT2A
SCHEMBL62237 0.73 DRD4 (0.76) SLC6A5DRD4HIF1AEPAS1MEN1
SCHEMBL61207 0.73 HDAC1 (0.56) SLC6A5DRD4HIF1AEPAS1DRD2

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 SLC6A5 4540/4885DRD4 2946/4885HIF1A 711/4885
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 SLC6A5 4540/4885DRD4 2946/4885HIF1A 711/4885
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 SLC6A5 4540/4885DRD4 2946/4885HIF1A 711/4885

“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.