Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2014232

O=C(O)C(F)(F)F.O=C1NCCc2nc(OCc3ccccc3F)sc21

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.46
TSHR P16473 1/20 0.46
CYP1A2 P05177 1/20 0.36
NTRK1 P04629 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPD P32754 1/20 0.34
KCNH2 Q12809 1/20 0.34
SCN3A Q9NY46 1/20 0.34
MAOB P27338 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 SCHEMBL30795336 1.00 GRM5 (0.46) GRM5TSHRCYP1A2NTRK1HTR2C
SCHEMBL30796732 0.92 GRM5 (0.53) GRM5TSHRCYP1A2HTR2CHTR2B
SCHEMBL2014419 0.92 GRM5 (0.53) GRM5TSHRCYP1A2HTR2CHTR2B
Trifluoroacetic Acid SCHEMBL2010260 0.84 GRM5 (0.50) GRM5TSHRCYP1A2KCNH2
SCHEMBL2010190 0.79 TSHR (0.50) GRM5TSHRHTR2CHTR2B
SCHEMBL2009348 0.74 GRM5 (0.54) GRM5TSHRCYP1A2HTR2CHTR2B
SCHEMBL2010940 0.73 GRM5 (0.62) GRM5TSHRCYP1A2HTR2CHTR2B
SCHEMBL10314927 0.71 GRM5 (0.65) GRM5CYP1A2KCNH2MAOB
SCHEMBL30795385 0.70 GRM5 (0.60) GRM5TSHR
SCHEMBL2012435 0.69 GRM5 (0.47) GRM5TSHRCYP1A2

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
EP-2513117-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS Janssen Pharmaceutica, N.V. (BE) 2012-10-24 EP claimed
US-20120258955-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2012-10-11 US claimed
WO-2011073339-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 WO claimed
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 1/4885TSHR 303/4885CYP1A2 4222/4885

“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.