Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1019957

CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3cnc(NC(=O)Nc4ccccc4)cn3)CC2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 5/20 0.46
ACKR3 P25106 10/20 0.44
FAAH O00519 4/20 0.43
MGLL Q99685 1/20 0.43
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
SLC2A1 P11166 1/20 0.42

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
SCHEMBL12955050 0.96 PRKAA2 (0.47) PRKAA2ACKR3FAAHMGLLPRKAB2
Trifluoroacetic Acid SCHEMBL1020788 0.90 PRKAA2 (0.51) PRKAA2ACKR3FAAHMGLLPRKAB2
SCHEMBL1019799 0.87 PRKAA2 (0.47) PRKAA2ACKR3PRKAB2PRKAG1PRKAA1
SCHEMBL12954997 0.86 PRKAA2 (0.52) PRKAA2ACKR3FAAHMGLLPRKAB2
SCHEMBL1020431 0.83 ACKR3 (0.42) PRKAA2ACKR3PRKAB2PRKAG1PRKAA1
SCHEMBL13663440 0.82 PRKAA2 (0.46) PRKAA2FAAHMGLLPRKAB2PRKAG1
SCHEMBL1019959 0.82 FAAH (0.43) PRKAA2FAAHPRKAB2PRKAG1PRKAA1
SCHEMBL1019018 0.80 ACKR3 (0.47) PRKAA2ACKR3PRKAB2PRKAG1PRKAA1
Trifluoroacetic Acid SCHEMBL1018638 0.79 PRKAB2 (0.48) PRKAA2ACKR3FAAHPRKAB2PRKAG1
Trifluoroacetic Acid SCHEMBL1016969 0.77 PRKAB2 (0.46) PRKAA2ACKR3PRKAB2PRKAG1PRKAA1

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
US-8314091-B2 N-benzyl,N'-arylcarbonylpiperazine derivatives MSD OSS B.V. (NL) 2012-11-20 US disclosed
EP-2190827-B1 N-BENZYL-N'-ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS ORGANON NV (NL) 2011-01-12 EP disclosed
EP-2190827-A1 N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS N.V. Organon (NL) 2010-06-02 EP disclosed
US-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES N.V. ORGANON AND PHARMACOPEIA, INC. 2009-10-22 US disclosed
WO-2009024550-A1 N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS N.V. ORGANON (NL) 2009-02-26 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 (1 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-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES NPC1L1, NPC1, ABCB11 PRKAA2 3532/4885ACKR3 1939/4885FAAH 1599/4885

“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.