Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL572058

NC(=O)C1CCCN1C(=O)CC(Cc1cc(F)c(F)cc1F)NC(=O)C(N)Cc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.47

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.47
KCNH2 Q12809 3/20 0.47
ACE P12821 2/20 0.46
DPP7 Q9UHL4 10/20 0.44
DPP8 Q6V1X1 9/20 0.44
DPP9 Q86TI2 9/20 0.44
CYP2D6 P10635 4/20 0.44
FAP Q12884 2/20 0.43
PREP P48147 1/20 0.43
XIAP P98170 1/20 0.43

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
SCHEMBL10056843 0.97 ACE (0.48) DPP4ACEDPP7DPP8DPP9
Trifluoroacetic Acid SCHEMBL572193 0.87 DPP4 (0.53) DPP4DPP7DPP8DPP9FAP
SCHEMBL10057885 0.85 ACE (0.55) ACEXIAP
SCHEMBL572136 0.85 ACE (0.55) ACEXIAP
SCHEMBL10057505 0.84 DPP4 (0.56) DPP4DPP7DPP8DPP9FAP
SCHEMBL10057507 0.80 DPP4 (0.51) DPP4DPP7DPP8DPP9FAP
Hydrochloric Acid SCHEMBL14973572 0.79 DPP4 (0.51) DPP4DPP7DPP8DPP9FAP
SCHEMBL572754 0.77 KLK5 (0.44) DPP4ACEDPP7DPP8DPP9
SCHEMBL6878507 0.77 ACE (0.62) DPP4ACEDPP7DPP8DPP9
SCHEMBL6878794 0.77 ACE (0.62) DPP4ACEDPP7DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2600888-A2 NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF Cadila Pharmaceuticals Ltd. (IN) 2013-06-12 EP claimed
US-20130137852-A1 NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF Cadila Corporate Campus (IN) 2013-05-30 US claimed
WO-2012017391-A2 NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF CADILA PHARMACEUTICALS LIMITED (IN) 2012-02-09 WO claimed
EP-2600888-A2 NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF Cadila Pharmaceuticals Ltd. (IN) 2013-06-12 EP disclosed
US-20130137852-A1 NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF Cadila Corporate Campus (IN) 2013-05-30 US disclosed
WO-2012017391-A2 NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF CADILA PHARMACEUTICALS LIMITED (IN) 2012-02-09 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-20130137852-A1 NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF DPP4, DPP7, DPP3 DPP4 1/4885KCNH2 2773/4885ACE 17/4885

“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.