Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3986645

NS(=O)(=O)N1CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.37
CA2 P00918 4/20 0.37
CA1 P00915 3/20 0.37
ALDH1A1 P00352 4/20 0.35
POLB P06746 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
RAD52 P43351 1/20 0.33
UBE2N P61088 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
ADORA2A P29274 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 SCHEMBL5402957 0.83 PKM (0.40) KDM4EPKMKMT2AALDH1A1POLB
Trifluoroacetic Acid SCHEMBL29021839 0.82 CA1 (0.52) KMT2ACA2CA1ALDH1A1POLB
Trifluoroacetic Acid SCHEMBL29021660 0.82 CA1 (0.58) KMT2ACA2CA1ALDH1A1POLB
SCHEMBL243962 0.81 KDM4E (0.54) KDM4EPKMKMT2ACA2CA1
Hydrochloric Acid SCHEMBL2592331 0.79 KDM4E (0.52) KDM4EPKMKMT2ACA2CA1
Piperazine SCHEMBL28210753 0.79 KDM4E (0.52) KDM4EPKMKMT2ACA2CA1
Hydrochloric Acid SCHEMBL27814697 0.79 KDM4E (0.52) KDM4EPKMKMT2ACA2CA1
Trifluoroacetic Acid SCHEMBL3987481 0.78 PKM (0.37) PKMKMT2AALDH1A1POLBHRH4
Trifluoroacetic Acid SCHEMBL5901266 0.76 ALDH1A1 (0.35) KDM4ECA2CA1ALDH1A1
Trifluoroacetic Acid SCHEMBL6951048 0.76 ALDH1A1 (0.35) KDM4ECA2CA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807423-B1 QUINOLINONE-CARBOXAMIDE COMPOUNDS THERAVANCE INC (US) 2009-05-20 EP disclosed
US-7498442-B2 Quinolinone-carboxamide compounds THERAVANCE, INC. (US) 2009-03-03 US disclosed
US-20080167295-A1 Containing a nortropane ring, e.g., 1-isopropyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid {(1S,3R,5R)-8-[2-hydroxy-3-(4-methanesulfonylpiperazin-1-yl)propyl]-8-azabicyclo[3.2.1]oct-3-yl}amide; 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-07-10 US disclosed
US-7396933-B2 Quinolinone-carboxamide compounds THERAVANCE, INC. (US) 2008-07-08 US disclosed
EP-1807423-A2 QUINOLINONE-CARBOXAMIDE COMPOUNDS Theravance, Inc. (US) 2007-07-18 EP disclosed
WO-2006052889-A2 QUINOLINONE-CARBOXAMIDE COMPOUNDS THERAVANCE, INC. (US) 2006-05-18 WO disclosed
US-20060100426-A1 Quinolinone-carboxamide compounds THERAVANCE, INC. 2006-05-11 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 (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-20080167295-A1 Containing a nortropane ring, e.g., 1-isopropyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid {(1S,3R,5R)-8-[2-hydroxy-3-(4-methanesulfonylpiperazin-1-yl)propyl]-8-azabicyclo[3.2.1]oct-3-yl}amide; 5-HT4 receptor agonists HTR5A, HTR4, HTR1A KDM4E 1340/4885PKM 4353/4885KMT2A 1835/4885
US-20060100426-A1 Quinolinone-carboxamide compounds HTR4, HTR5A, HTR2C KDM4E 1306/4885PKM 3256/4885KMT2A 1724/4885

“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.