Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1016969

CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(NC(=O)NCC4CC4)cc3)CC2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKAB2 O43741 2/20 0.46
▸ PRKAG1 P54619 2/20 0.46
▸ PRKAA2 P54646 2/20 0.46
▸ PRKAA1 Q13131 2/20 0.46
▸ PRKAG3 Q9UGI9 2/20 0.46
▸ PRKAG2 Q9UGJ0 2/20 0.46
▸ PRKAB1 Q9Y478 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ ACKR3 P25106 4/20 0.45
▸ SLC2A1 P11166 4/20 0.44
▸ HDAC3 O15379 2/20 0.43
▸ HDAC4 P56524 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC7 Q8WUI4 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ HDAC10 Q969S8 2/20 0.43
▸ HDAC11 Q96DB2 2/20 0.43

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
SCHEMBL13660730 0.95 TP53 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Trifluoroacetic Acid SCHEMBL1018638 0.90 PRKAB2 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Trifluoroacetic Acid SCHEMBL1075170 0.87 BCHE (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1020199 0.86 TP53 (0.51) TP53MAPTMAPK1HTTACKR3
Trifluoroacetic Acid SCHEMBL1020248 0.86 PRKAB2 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Trifluoroacetic Acid SCHEMBL1021467 0.85 SLC2A1 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1020415 0.85 HTT (0.46) TP53MAPTMAPK1HTTACKR3
SCHEMBL1020212 0.85 TP53 (0.46) TP53MAPTMAPK1HTTACKR3
SCHEMBL1020459 0.84 PRKAB2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL12954825 0.84 MEN1 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190827-B1 N-BENZYL-N'-ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS ORGANON NV (NL) 2011-01-12 — — EP claimed
EP-2190827-A1 N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS N.V. Organon (NL) 2010-06-02 — — EP claimed
US-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES N.V. ORGANON AND PHARMACOPEIA, INC. 2009-10-22 — — US claimed
WO-2009024550-A1 N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS N.V. ORGANON (NL) 2009-02-26 — — WO claimed
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 PRKAB2 3753/4885PRKAG1 3711/4885PRKAA2 3532/4885

“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.