Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1017952

C[C@H]1CN(Cc2cccc(C(=O)NC(C)(C)C)c2)CCN1C(=O)c1ccc(NC(=O)NC2CCC2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.42
DCUN1D1 Q96GG9 6/20 0.41
UBE2M P61081 5/20 0.41
ACKR3 P25106 5/20 0.41
KMT2A Q03164 2/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
EPHX2 P34913 1/20 0.39
F10 P00742 1/20 0.39
HPN P05981 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
HGFAC Q04756 1/20 0.39
ST14 Q9Y5Y6 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
Trifluoroacetic Acid SCHEMBL1017954 1.00 SLC2A1 (0.42) SLC2A1DCUN1D1UBE2MACKR3KMT2A
SCHEMBL12955051 0.96 ACKR3 (0.42) DCUN1D1UBE2MACKR3KMT2ADRD2
Trifluoroacetic Acid SCHEMBL1021467 0.87 SLC2A1 (0.48) SLC2A1DCUN1D1UBE2MACKR3KMT2A
Trifluoroacetic Acid SCHEMBL1019196 0.86 SMN1; SMN2 (0.40) SLC2A1DCUN1D1UBE2MACKR3KMT2A
SCHEMBL12954974 0.84 DRD2 (0.47) DCUN1D1UBE2MACKR3KMT2ADRD2
Hydrochloric Acid SCHEMBL1074147 0.83 ACKR3 (0.46) DCUN1D1UBE2MACKR3KMT2ADRD2
SCHEMBL1017953 0.83 DCUN1D1 (0.41) DCUN1D1UBE2MACKR3KMT2ADRD2
SCHEMBL13663359 0.82 KMT2A (0.41) DCUN1D1UBE2MACKR3KMT2ADRD2
SCHEMBL12954826 0.82 ACKR3 (0.45) DCUN1D1UBE2MACKR3KMT2ADRD2
SCHEMBL12955054 0.81 USP30 (0.41) ACKR3KMT2AALDH1A1EPHX2

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 3 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
US-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES N.V. ORGANON AND PHARMACOPEIA, INC. 2009-10-22 US 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 SLC2A1 233/4885DCUN1D1 4520/4885UBE2M 1792/4885

“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.