Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1021698

CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)c(F)c3)CC2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
FLT3 P36888 10/20 0.44
KDR P35968 3/20 0.44
ALK Q9UM73 3/20 0.44
AURKA O14965 2/20 0.44
CSF1R P07333 1/20 0.42
MAPK14 Q16539 3/20 0.42
RAF1 P04049 1/20 0.40
RET P07949 1/20 0.40
KMT2A Q03164 2/20 0.40
MAPK13 O15264 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL12955112 0.96 NPC1 (0.49) NPC1RAB9AFLT3KDRALK
SCHEMBL13896409 0.85 RAB9A (0.48) NPC1RAB9AFLT3KDRALK
SCHEMBL1019490 0.84 ALDH1A1 (0.50) KMT2AMEN1LMNATSHRMAPK1
SCHEMBL1021700 0.83 RAB9A (0.46) NPC1RAB9AFLT3KDRALK
SCHEMBL1021709 0.82 ACKR3 (0.46)
SCHEMBL1019814 0.82 ACKR3 (0.41) KMT2AMEN1LMNATSHRMAPK1
SCHEMBL1512416 0.81 FLT3 (0.52) NPC1RAB9AFLT3KDRALK
SCHEMBL1019162 0.81 MEN1 (0.44) KMT2AMEN1LMNATSHRMAPK1
SCHEMBL1019026 0.80 CCR3 (0.47) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL1017791 0.80 MEN1 (0.42) KMT2AMEN1LMNATSHRMAPK1

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 NPC1 2/4885RAB9A 2035/4885FLT3 3215/4885

“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.