Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5397407

CCc1nc(C(O)C(N)CC)no1.O=C(O)C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 3/20 0.34
DPP8 Q6V1X1 3/20 0.34
DPP4 P27487 2/20 0.34
NPY2R P49146 1/20 0.32

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 SCHEMBL5397425 1.00 DPP7 (0.34) DPP7DPP8DPP4NPY2R
SCHEMBL2163676 0.87 KDM4E (0.33)
SCHEMBL5954975 0.87 KDM4E (0.33)
SCHEMBL2163672 0.87 KDM4E (0.33)
Trifluoroacetic Acid SCHEMBL5392352 0.85 HDAC4 (0.39) DPP7DPP8DPP4
Trifluoroacetic Acid SCHEMBL5392342 0.85 HDAC4 (0.39) DPP7DPP8DPP4
SCHEMBL5397419 0.77 KDM4E (0.30)
Trifluoroacetic Acid SCHEMBL5396512 0.76 DPP4 (0.34) DPP7DPP8DPP4NPY2R
Trifluoroacetic Acid SCHEMBL5396504 0.76 DPP4 (0.34) DPP7DPP8DPP4NPY2R
SCHEMBL5387760 0.76 HDAC4 (0.39)

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
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-08-30 US disclosed
US-7226921-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-05 US disclosed
US-6977256-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US disclosed
US-20050267044-A1 Novel compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 US disclosed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US disclosed
US-20030199506-A1 Novel compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS INC. 2003-10-23 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 (4 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-20050267044-A1 Novel compounds and compositions as cathepsin S inhibitors CTSS, CTSB, CTSE DPP7 153/4885DPP8 179/4885DPP4 280/4885
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSE DPP7 153/4885DPP8 179/4885DPP4 280/4885
US-20030199506-A1 Novel compounds and compositions as cathepsin S inhibitors CTSS, CTSB, CTSE DPP7 140/4885DPP8 161/4885DPP4 257/4885
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE DPP7 127/4885DPP8 133/4885DPP4 210/4885

“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.