Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3126576

O=C(O)C(F)(F)F.O=C1c2ccccc2C(=O)N1CC(Cl)=C1CCCNC1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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 SCHEMBL3126565 1.00 CA12 (0.42) CA12CA9MEN1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL3135848 1.00 CA12 (0.42) CA12CA9MEN1KMT2AALDH1A1
SCHEMBL13349272 0.91 CA12 (0.43) CA12CA9MEN1KMT2AALDH1A1
SCHEMBL13349267 0.91 CA12 (0.43) CA12CA9MEN1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL3137391 0.88 CA12 (0.43) CA12CA9MEN1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL3135721 0.88 CA12 (0.43) CA12CA9MEN1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL3135731 0.88 CA12 (0.43) CA12CA9MEN1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL3138688 0.84 CA12 (0.39) CA12CA9MEN1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL3134056 0.84 CA12 (0.39) CA12CA9MEN1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL3134051 0.84 CA12 (0.39) CA12CA9MEN1KMT2AALDH1A1

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 5 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
US-20060052359-A1 7-Amino alkylidenyl-heterocyclic quinolones and naphthyridones JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-09 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-20060052359-A1 7-Amino alkylidenyl-heterocyclic quinolones and naphthyridones NQO2, NQO1, REN CA12 3691/4885CA9 2020/4885MEN1 1772/4885
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES NQO2, QRFPR, NQO1 CA12 3602/4885CA9 1820/4885MEN1 1904/4885

“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.