Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2015764

O=C(O)C(F)(F)F.O=C1NCCc2nc(OCc3cccc(F)c3)sc21

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.56
CYP1A2 P05177 1/20 0.56
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
TSHR P16473 1/20 0.42
NR4A2 P43354 2/20 0.39
HPD P32754 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 1/20 0.36

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
SCHEMBL2010940 0.92 GRM5 (0.62) GRM5CYP1A2PTGS1PTGS2TSHR
Trifluoroacetic Acid SCHEMBL2010260 0.88 GRM5 (0.50) GRM5CYP1A2PTGS1PTGS2TSHR
Trifluoroacetic Acid SCHEMBL2014232 0.83 GRM5 (0.46) GRM5CYP1A2TSHRHPDHTR2C
Trifluoroacetic Acid SCHEMBL30795336 0.83 GRM5 (0.46) GRM5CYP1A2TSHRHPDHTR2C
SCHEMBL2013482 0.81 GRM5 (0.60) GRM5CYP1A2TSHR
SCHEMBL2013553 0.80 GRM5 (0.48) GRM5CYP1A2PTGS1PTGS2TSHR
SCHEMBL2009348 0.79 GRM5 (0.54) GRM5CYP1A2PTGS1PTGS2TSHR
SCHEMBL2012435 0.74 GRM5 (0.47) GRM5CYP1A2TSHR
SCHEMBL30794402 0.74 GRM5 (0.61) GRM5CYP1A2
SCHEMBL2014419 0.73 GRM5 (0.53) GRM5CYP1A2TSHRHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040707-B2 Bicyclic thiazoles as allosteric modulators of mGluR5 receptors JANSSEN PHARMACEUTICA NV (BE) 2015-05-26 US claimed
EP-2513117-B1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2013-08-28 EP claimed
US-20120258955-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2012-10-11 US claimed
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
US-9040707-B2 Bicyclic thiazoles as allosteric modulators of mGluR5 receptors JANSSEN PHARMACEUTICA NV (BE) 2015-05-26 US disclosed
EP-2513117-B1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2013-08-28 EP disclosed
EP-2513117-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS Janssen Pharmaceutica, N.V. (BE) 2012-10-24 EP disclosed
US-20120258955-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2012-10-11 US disclosed
WO-2011073339-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 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-20120258955-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRM2 GRM5 1/4885CYP1A2 4222/4885PTGS1 1402/4885

“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.