Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4172149

CC1(C)OCc2cc(CCCN)cc3c(=O)c(C(=O)O)cn1c23.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.35
GSK3B P49841 1/20 0.33
KCNH2 Q12809 1/20 0.33
KMT2A Q03164 1/20 0.33
TOP1 P11387 2/20 0.32
TOP2A P11388 1/20 0.32
ALDH1A1 P00352 6/20 0.32
DRD3 P35462 1/20 0.32
CYP1A2 P05177 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 5/20 0.31
HSD17B10 Q99714 5/20 0.31
CYP2D6 P10635 1/20 0.31
APEX1 P27695 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALB P02768 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
AADAT Q8N5Z0 2/20 0.30
TUBB4A P04350 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL14529588 0.81 GSK3B (0.33) KDM4EGSK3BCYP1A2SMN1; SMN2
Trifluoroacetic Acid SCHEMBL4175924 0.81 KDM4E (0.42) KDM4EGSK3BKCNH2KMT2ATOP2A
Trifluoroacetic Acid SCHEMBL4164839 0.80 KDM4E (0.35) KDM4EGSK3BKCNH2KMT2ATOP1
SCHEMBL4186330 0.80 SIGMAR1 (0.36) KDM4EGSK3BKMT2ACYP2D6
SCHEMBL4186321 0.80 SIGMAR1 (0.36) KDM4EGSK3BKMT2ACYP2D6
Trifluoroacetic Acid SCHEMBL3976871 0.77 KDM4E (0.38) KDM4EGSK3BALDH1A1DRD3CYP1A2
SCHEMBL4144519 0.75 KDM4E (0.36) KDM4EKMT2ATOP2AALDH1A1CYP1A2
SCHEMBL4886270 0.74 KDM4E (0.43) KDM4EGSK3BKCNH2KMT2ATOP2A
SCHEMBL4879938 0.73 CNR1 (0.41) KDM4EGSK3BKCNH2KMT2ATOP1
SCHEMBL4175956 0.72 KDM4E (0.37) KDM4EGSK3BKCNH2TOP1TOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20080096829-A1 Macrolone Compounds GLAXO GROUP LIMITED (GB) 2008-04-24 US disclosed
EP-1824871-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
WO-2006050940-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-05-18 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 (2 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-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 KDM4E 3897/4885GSK3B 2763/4885KCNH2 1548/4885
US-20080096829-A1 Macrolone Compounds MRPL21, MRPS18A, MRPL19 KDM4E 4136/4885GSK3B 3177/4885KCNH2 2069/4885

“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.