Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3908767

CN1CCN(CC2CCC(N)C2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNB1 Q02641 1/20 0.36
CACNA1C Q13936 1/20 0.36
SLC2A1 P11166 3/20 0.35
CPB1 P15086 2/20 0.33
CPB2 Q96IY4 2/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
F2 P00734 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
DPP4 P27487 1/20 0.32
TP53 P04637 1/20 0.32
CHRM1 P11229 3/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31

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
SCHEMBL21254070 0.85 NCF1 (0.38) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
Trifluoroacetic Acid SCHEMBL3908832 0.83 KCNJ1 (0.41) DPP8ALDH1A1DPP4
Trifluoroacetic Acid SCHEMBL3901586 0.80 SIGMAR1 (0.33) DPP8SIGMAR1DPP4
Trifluoroacetic Acid SCHEMBL3897960 0.80 DRD2 (0.46) DPP8DPP7ALDH1A1TSHRDPP4
Trifluoroacetic Acid SCHEMBL3896392 0.78 DPP4 (0.35) DPP8DPP7DPP4
Trifluoroacetic Acid SCHEMBL3903864 0.77 F2 (0.41) DPP8DPP7F2DPP4
Trifluoroacetic Acid SCHEMBL1957184 0.77 DRD2 (0.40) DPP8DPP7SIGMAR1DPP4CHRM1
SCHEMBL18459482 0.76 HSD17B10 (0.38) CPB1CPB2SIGMAR1ALDH1A1
SCHEMBL20416020 0.76 CHRM5 (0.39) CACNA2D1CACNA1BCACNB1CACNA1CSIGMAR1
SCHEMBL4685789 0.75 NCF1 (0.40) CACNA2D1CACNA1BCACNB1CACNA1CCHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799639-B1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS SA (CH) 2013-09-04 EP disclosed
US-7538128-B2 Dipeptidyl peptidase IV inhibitors, process for their preparation and compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2009-05-26 US disclosed
US-7524844-B2 Dipeptidyl peptidase IV inhibitors, process for their preparation and compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2009-04-28 US disclosed
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-10-11 US disclosed
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-10-04 US disclosed
US-7205323-B2 Dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2007-04-17 US disclosed
US-20060142585-A1 Novel dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation GLENMARK PHARMACETUCALS, S.A. 2006-06-29 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 (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-20060142585-A1 Novel dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation DPP4, DPP3, DPP7 CACNA2D1 3888/4885CACNA1B 3292/4885CACNB1 3750/4885
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 CACNA2D1 4107/4885CACNA1B 3705/4885CACNB1 4171/4885
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 CACNA2D1 4107/4885CACNA1B 3705/4885CACNB1 4171/4885

“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.