Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3132097

CC(CO)=C1CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.33
OPRD1 P41143 3/20 0.33
OPRM1 P35372 2/20 0.33
OPRK1 P41145 2/20 0.33
HRH4 Q9H3N8 2/20 0.32
HRH3 Q9Y5N1 1/20 0.30
KDM1A O60341 2/20 0.30
DPP8 Q6V1X1 1/20 0.30
FUCA1 P04066 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
SCHEMBL13798076 0.83 ADCY6 (0.31) OPRD1OPRM1OPRK1
Trifluoroacetic Acid SCHEMBL3558736 0.81 OPRD1 (0.32) PKMOPRD1OPRM1OPRK1KDM1A
SCHEMBL3132103 0.73 OPRD1 (0.31) OPRD1OPRM1OPRK1
Trifluoroacetic Acid SCHEMBL4307037 0.71 PKM (0.36) PKMHRH4KDM1A
Trifluoroacetic Acid SCHEMBL3137450 0.70 PKM (0.34) PKMKDM1A
Trifluoroacetic Acid SCHEMBL5253248 0.70 KDM1A (0.37) PKMKDM1ADPP8
Trifluoroacetic Acid SCHEMBL3471327 0.70 TSHR (0.38) PKMHRH4HRH3KDM1AFUCA1
Trifluoroacetic Acid SCHEMBL4391008 0.70 TSHR (0.38) PKMHRH4HRH3KDM1AFUCA1
Trifluoroacetic Acid SCHEMBL2310563 0.68 OPRD1 (0.57) OPRD1OPRM1OPRK1
Trifluoroacetic Acid SCHEMBL4067307 0.67 PKM (0.36) PKMHRH4HRH3KDM1ADPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861401-B1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2015-11-18 EP disclosed
US-7732612-B2 7-amino alkylidenyl-heterocyclic quinolones and naphthyridones JANSSEN PHARMACEUTICA, N.V. (BE) 2010-06-08 US disclosed
WO-2010056633-A2 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2010-05-20 WO disclosed
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 US disclosed
EP-1675852-B1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-02-18 EP disclosed
EP-1861401-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-05 EP disclosed
US-7179805-B2 7-amino alkylidenyl-heterocyclic quinolones and naphthyridones JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-20 US disclosed
WO-2006101603-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA, N.V. (BE) 2006-09-28 WO disclosed
EP-1675852-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES Janssen Pharmaceutica N.V. (BE) 2006-07-05 EP disclosed
US-20060052359-A1 7-Amino alkylidenyl-heterocyclic quinolones and naphthyridones JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-09 US disclosed
US-20050101588-A1 7-Amino alkylidenyl-heterocyclic quinolones and naphthyridones GRANT EUGENE B III (US) 2005-05-12 US disclosed
WO-2005033108-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA, N.V. (BE) 2005-04-14 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 (3 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-20060052359-A1 7-Amino alkylidenyl-heterocyclic quinolones and naphthyridones NQO2, NQO1, REN PKM 2160/4885OPRD1 618/4885OPRM1 351/4885
US-20050101588-A1 7-Amino alkylidenyl-heterocyclic quinolones and naphthyridones NQO2, NQO1, REN PKM 2160/4885OPRD1 618/4885OPRM1 351/4885
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES NQO2, QRFPR, NQO1 PKM 2037/4885OPRD1 722/4885OPRM1 439/4885

“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.