Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1222644

CC(C)=CCn1c(N2CCC3CNCC32)nc2c1c(=O)n(CC(=O)c1ccccc1)c(=O)n2CC(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.77
CHRM1 P11229 2/20 0.51
CHRM2 P08172 1/20 0.51
CHRM3 P20309 1/20 0.51
KCNH2 Q12809 1/20 0.51
LMNA P02545 1/20 0.39

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
Hydrochloric Acid SCHEMBL1223134 0.97 DPP4 (0.79) DPP4CHRM1CHRM2CHRM3KCNH2
Hydrochloric Acid SCHEMBL1223724 0.89 DPP4 (0.83) DPP4CHRM1CHRM2CHRM3KCNH2
Hydrochloric Acid SCHEMBL1222931 0.86 DPP4 (0.98) DPP4CHRM1CHRM2CHRM3KCNH2
Hydrochloric Acid SCHEMBL1222930 0.86 DPP4 (0.98) DPP4CHRM1CHRM2CHRM3KCNH2
Hydrochloric Acid SCHEMBL1222374 0.85 DPP4 (0.82) DPP4CHRM1CHRM2CHRM3KCNH2
Trifluoroacetic Acid SCHEMBL1222555 0.83 DPP4 (0.76) DPP4CHRM1CHRM2CHRM3KCNH2
Trifluoroacetic Acid SCHEMBL1222235 0.81 DPP4 (0.72) DPP4CHRM1CHRM2CHRM3KCNH2
Hydrochloric Acid SCHEMBL1223118 0.80 DPP4 (0.77) DPP4CHRM1CHRM2CHRM3KCNH2
Trifluoroacetic Acid SCHEMBL1222935 0.80 DPP4 (0.72) DPP4CHRM1CHRM2CHRM3KCNH2
Trifluoroacetic Acid SCHEMBL1223057 0.80 DPP4 (0.72) DPP4CHRM1CHRM2CHRM3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888343-B2 Substituted, bicyclic 8-pyrrolidinoxanthines, and methods for their use as inhibitors of dipeptidyl peptidase Sanofi-A Ventis Deutschland GmbH (DE) 2011-02-15 US disclosed
US-20070197563-A1 SUBSTITUTED, BICYCLIC 8-PYRROLIDINOXANTHINES, AND METHODS FOR THEIR USE AS INHIBITORS OF DIPEPTIDYL PEPTIDASE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 US disclosed
EP-1778697-A1 SUBSTITUTED BICYCLIC 8-PYRROLIDINO-XANTHINES AND USE THEREOF AS INHIBITORS OF THE DIPEPTIDYL PEPTIDASE IV Sanofi-Aventis Deutschland GmbH (DE) 2007-05-02 EP disclosed
WO-2006015699-A1 SUBSTITUTED BICYCLIC 8-PYRROLIDINO-XANTHINES AND USE THEREOF AS INHIBITORS OF THE DIPEPTIDYL PEPTIDASE IV SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-02-16 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-20070197563-A1 SUBSTITUTED, BICYCLIC 8-PYRROLIDINOXANTHINES, AND METHODS FOR THEIR USE AS INHIBITORS OF DIPEPTIDYL PEPTIDASE DPP8, DPP7, DPP4 DPP4 3/4885CHRM1 4838/4885CHRM2 4723/4885

“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.