Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1018573

COC(=O)c1cccc(CN2CCNCC2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 14/20 0.63
SLC2A1 P11166 1/20 0.55
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HIF1A Q16665 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47

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
SCHEMBL1512308 0.92 CHRM3 (0.72) CHRM3MEN1ALDH1A1KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL4055933 0.87 CHRM3 (0.88) CHRM3
Tert-Butyl Formate SCHEMBL28052662 0.84 CHRM3 (0.64) CHRM3MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL20209837 0.80 CYP2D6 (0.62) CHRM3MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL1373046 0.80 CYP2D6 (0.67) CHRM3MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL22653097 0.80 CHRM3 (0.58) CHRM3MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL12563565 0.79 CYP2D6 (0.69) CHRM3MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL28744419 0.79 CYP2D6 (0.73) CHRM3MEN1KMT2ASMN1; SMN2CYP2D6
SCHEMBL6630922 0.78 MEN1 (0.61) CHRM3MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL10145077 0.78 ALDH1A1 (0.60) CHRM3MEN1ALDH1A1KMT2ASMN1; SMN2

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 CHRM3 3452/4885SLC2A1 233/4885MEN1 4243/4885

“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.