Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3906295

N[C@@H]1CC[C@H](Cn2ccnc2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.46
TBXAS1 P24557 5/20 0.41
ALDH1A1 P00352 1/20 0.39
EGLN3 Q9H6Z9 1/20 0.37
CPB1 P15086 2/20 0.37
CPB2 Q96IY4 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP19A1 P11511 2/20 0.35
FDPS P14324 2/20 0.35
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
BTN3A1 O00481 1/20 0.34
CA12 O43570 1/20 0.34
GGPS1 O95749 1/20 0.34
CA2 P00918 1/20 0.34
LMNA P02545 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP14 P50281 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 SCHEMBL3907841 0.79 CPB1 (0.39) CPB1CPB2F2PRSS1
Trifluoroacetic Acid SCHEMBL3900122 0.77 EGLN3 (0.37) EGLN3CPB1CPB2FDPSF2
Trifluoroacetic Acid SCHEMBL3897924 0.77 EGLN3 (0.37) EGLN3CPB1CPB2FDPSF2
Trifluoroacetic Acid SCHEMBL3908303 0.77 F2 (0.36) CPB1CPB2F2PRSS1
Trifluoroacetic Acid SCHEMBL3899603 0.77 F2 (0.32) CPB1CPB2F2PRSS1
Trifluoroacetic Acid SCHEMBL3895341 0.77 EGLN3 (0.37) EGLN3CPB1CPB2FDPSF2
Trifluoroacetic Acid SCHEMBL3911719 0.77 EGLN3 (0.37) EGLN3CPB1CPB2FDPSF2
Hydrochloric Acid SCHEMBL16322848 0.76 CYP2B6 (0.63) CYP2B6TBXAS1CYP19A1
Hydrochloric Acid SCHEMBL16322847 0.76 CYP2B6 (0.63) CYP2B6TBXAS1CYP19A1
Hydrochloric Acid SCHEMBL16322850 0.76 CYP2B6 (0.63) CYP2B6TBXAS1CYP19A1

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 CYP2B6 504/4885TBXAS1 2148/4885ALDH1A1 924/4885
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 CYP2B6 886/4885TBXAS1 2285/4885ALDH1A1 1040/4885
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 CYP2B6 886/4885TBXAS1 2285/4885ALDH1A1 1040/4885

“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.