Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1020377

O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCNCC2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.58
CCNC P24863 8/20 0.57
CDK8 P49336 8/20 0.57
EPHX2 P34913 7/20 0.55
FLT3 P36888 1/20 0.55
POLB P06746 1/20 0.53
ATR Q13535 1/20 0.52
NAMPT P43490 1/20 0.50

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
SCHEMBL1019077 0.92 SIGMAR1 (0.69) SIGMAR1CCNCCDK8EPHX2FLT3
Trifluoroacetic Acid SCHEMBL27832857 0.85 SIGMAR1 (0.81) SIGMAR1CCNCCDK8
Trifluoroacetic Acid SCHEMBL7667828 0.81 POLB (0.80) POLB
SCHEMBL31054288 0.80 HPGD (0.68) EPHX2NAMPT
Trifluoroacetic Acid SCHEMBL7669178 0.79 POLB (0.58) SIGMAR1CCNCCDK8POLBATR
Trifluoroacetic Acid SCHEMBL15565817 0.79 HPGD (0.63) SIGMAR1EPHX2
Trifluoroacetic Acid SCHEMBL16150177 0.79 SIGMAR1 (0.59) SIGMAR1POLB
SCHEMBL1019457 0.78 EPHX2 (0.59) EPHX2NAMPT
Isophthalic Acid SCHEMBL27637816 0.78 SIGMAR1 (0.68) SIGMAR1CCNCCDK8
SCHEMBL1020379 0.78 SIGMAR1 (0.49) SIGMAR1CCNCCDK8EPHX2FLT3

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 SIGMAR1 1876/4885CCNC 2517/4885CDK8 4765/4885

“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.