Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3898358

N[C@H]1CC[C@@H](Cn2ncc3ccccc32)C1.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.49
KMO O15229 1/20 0.45
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MERTK Q12866 1/20 0.40
RECQL P46063 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 3/20 0.38
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 1/20 0.37
HSD17B10 Q99714 2/20 0.37
TFPI2 P48307 1/20 0.37
F2 P00734 2/20 0.36
PRSS1 P07477 2/20 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
SCHEMBL9960182 0.80 CHRM2 (0.46) CRHR1KMONPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL3911550 0.77 MERTK (0.39) MERTKCHRM3F2PRSS1
SCHEMBL5946285 0.77 RECQL (0.54) CRHR1KMONPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL3899227 0.76 CRHR1 (0.48) CRHR1MERTKF2PRSS1
Trifluoroacetic Acid SCHEMBL3908398 0.76 LMNA (0.45) NPC1SMN1; SMN2TSHRL3MBTL1NPSR1
Trifluoroacetic Acid SCHEMBL3903864 0.75 F2 (0.41) F2PRSS1
Trifluoroacetic Acid SCHEMBL3907841 0.74 CPB1 (0.39) MERTKF2PRSS1
SCHEMBL3898360 0.73 CRHR1 (0.44) CRHR1KMONPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL3908303 0.72 F2 (0.36) HDAC1F2PRSS1
Trifluoroacetic Acid SCHEMBL3897960 0.72 DRD2 (0.46) TSHRNPSR1

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 CRHR1 1878/4885KMO 3786/4885NPC1 942/4885
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 CRHR1 1806/4885KMO 3396/4885NPC1 1400/4885
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 CRHR1 1806/4885KMO 3396/4885NPC1 1400/4885

“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.