Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3911550

N[C@@H]1CC[C@H](Cn2nc3ccccc3n2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.39
CPB1 P15086 2/20 0.39
CPB2 Q96IY4 2/20 0.39
F2 P00734 5/20 0.38
PRSS1 P07477 4/20 0.38
F11 P03951 1/20 0.36
KLKB1 P03952 1/20 0.36
DHFR P00374 1/20 0.35
DPP4 P27487 3/20 0.35
DPP7 Q9UHL4 3/20 0.35
DPP8 Q6V1X1 2/20 0.35
DPP9 Q86TI2 2/20 0.35
CHRM3 P20309 1/20 0.35
TACR1 P25103 1/20 0.35
ORAI1 Q96D31 1/20 0.34
GNRHR P30968 1/20 0.34
GPR6 P46095 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 SCHEMBL3899227 0.83 CRHR1 (0.48) MERTKCPB1CPB2F2PRSS1
Trifluoroacetic Acid SCHEMBL3907841 0.81 CPB1 (0.39) MERTKCPB1CPB2F2PRSS1
Trifluoroacetic Acid SCHEMBL3908398 0.81 LMNA (0.45)
Trifluoroacetic Acid SCHEMBL3903864 0.80 F2 (0.41) F2PRSS1DPP4DPP7DPP8
Trifluoroacetic Acid SCHEMBL3898358 0.77 CRHR1 (0.49) MERTKF2PRSS1CHRM3
Trifluoroacetic Acid SCHEMBL3906366 0.77 KMT2A (0.43) DPP4
Trifluoroacetic Acid SCHEMBL3897960 0.77 DRD2 (0.46) DPP4DPP7DPP8DPP9
Trifluoroacetic Acid SCHEMBL3908849 0.76 NOTUM (0.40) CPB1CPB2F2PRSS1GNRHR
Trifluoroacetic Acid SCHEMBL3899525 0.75 MEN1 (0.45) F2
SCHEMBL3911554 0.75 CRHR1 (0.35) DHFRORAI1GPR6

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 5 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-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-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 (2 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 MERTK 4045/4885CPB1 117/4885CPB2 257/4885
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 MERTK 3559/4885CPB1 92/4885CPB2 175/4885

“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.