Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4183630

NCCCc1cc2c3c(c1)c(=O)c(C(=O)O)cn3CCCO2.O=C(O)C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.34
ADRA2B P18089 1/20 0.34
MAPK1 P28482 1/20 0.34
TOP2A P11388 11/20 0.34
TOP1 P11387 5/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
APEX1 P27695 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AADAT Q8N5Z0 2/20 0.33
TOP2B Q02880 7/20 0.32
LMNA P02545 1/20 0.32

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 SCHEMBL3976871 0.84 KDM4E (0.38) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL4178090 0.78 SIGMAR1 (0.37) ALDH1A1CYP1A2CYP2D6
Trifluoroacetic Acid SCHEMBL4164839 0.77 KDM4E (0.35) KDM4EADRA2BMAPK1TOP2ATOP1
SCHEMBL4886189 0.77 KDM4E (0.35) KDM4EADRA2BMAPK1TOP2ATOP1
SCHEMBL4175956 0.75 KDM4E (0.37) KDM4EADRA2BMAPK1TOP2ATOP1
Trifluoroacetic Acid SCHEMBL4146945 0.73 KDM4E (0.39) KDM4EADRA2BMAPK1TOP1ALDH1A1
Trifluoroacetic Acid SCHEMBL4175924 0.72 KDM4E (0.42) KDM4ETOP2AALDH1A1HPGDHSD17B10
SCHEMBL4879938 0.72 CNR1 (0.41) KDM4ETOP2ATOP1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL3288995 0.72 KDM4E (0.48) KDM4ETOP2ATOP1ALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL4172149 0.72 KDM4E (0.35) KDM4EADRA2BMAPK1TOP2ATOP1

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-1824497-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
WO-2006050943-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 3897/4885ADRA2B 2901/4885MAPK1 1945/4885
US-20080096829-A1 Macrolone Compounds MRPL21, MRPS18A, MRPL19 KDM4E 4136/4885ADRA2B 2848/4885MAPK1 2012/4885

“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.