Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3973386

O=C(O)C(F)(F)F.O=[N+]([O-])c1ccc(OC2CCNCC2)c(Cl)c1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 6/20 0.49
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM1A O60341 1/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
PDE7A Q13946 1/20 0.39
SCD O00767 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
CCR6 P51684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RORC P51449 1/20 0.39

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
SCHEMBL3973922 0.89 UTS2R (0.52) UTS2RRAB9AALDH1A1MAPTMEN1
Trifluoroacetic Acid SCHEMBL2253892 0.88 KDM1A (0.41) UTS2RALDH1A1KDM1AMAPTMEN1
SCHEMBL20694275 0.82 MAP2K1 (0.49) UTS2RPDE7A
SCHEMBL15321485 0.81 CTSS (0.43) UTS2RALDH1A1MAPTMEN1KMT2A
SCHEMBL27265100 0.80 HSD17B10 (0.53) RAB9AALDH1A1MAPTMEN1GAA
SCHEMBL30296552 0.78 CYP19A1 (0.52) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL22069750 0.78 CYP19A1 (0.55) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL12040660 0.77 SLC6A2 (0.46) UTS2RALDH1A1MAPTMEN1KMT2A
SCHEMBL2581331 0.77 PDE7A (0.49) RAB9AALDH1A1MAPTKMT2APDE7A
SCHEMBL6819180 0.77 CYP19A1 (0.56) ALDH1A1MAPTMEN1KMT2APDE7A

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
EP-1907385-A4 COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-05-06 EP disclosed
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
EP-1907385-A2 COMPOUNDS SmithKline Beecham Corporation (US) 2008-04-09 EP disclosed
WO-2007018941-A2 PYRIMIDYL-THIOPHENE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 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 (1 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-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. AURKA, AURKC, AURKB UTS2R 3395/4885RAB9A 4140/4885ALDH1A1 3516/4885

“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.