Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7377191

CC(C)C[C@@H](N)C(=O)N[C@H](C(=O)OCc1ccccc1)C(C)C.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.58
CTSB P07858 3/20 0.58
CTSD P07339 1/20 0.49
LNPEP Q9UIQ6 5/20 0.48
ERAP2 Q6P179 3/20 0.48
ERAP1 Q9NZ08 1/20 0.47
CTSS P25774 2/20 0.46
CTSL P07711 2/20 0.46
SCN9A Q15858 1/20 0.45

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
SCHEMBL29536591 0.93 CTSK (0.61) CTSKCTSBCTSDLNPEPERAP2
Trifluoroacetic Acid SCHEMBL7371398 0.89 CTSK (0.50) CTSKCTSBCTSSCTSLSCN9A
Trifluoroacetic Acid SCHEMBL27697116 0.84 ANPEP (0.49) CTSKCTSBCTSSCTSL
SCHEMBL29832541 0.84 CTSB (0.56) CTSKCTSBCTSDLNPEPERAP2
SCHEMBL29770321 0.84 CTSB (0.56) CTSKCTSBCTSDLNPEPERAP2
Trifluoroacetic Acid SCHEMBL9439517 0.84 PSMB1 (0.52) CTSKCTSBCTSSCTSL
SCHEMBL9099075 0.83 CTSB (0.51) CTSKCTSBCTSDLNPEPERAP2
SCHEMBL9099082 0.83 CTSK (0.51) CTSKCTSBCTSDLNPEPERAP2
Trifluoroacetic Acid SCHEMBL9320615 0.82 CTSK (0.58) CTSKCTSBCTSDERAP2ERAP1
Trifluoroacetic Acid SCHEMBL10443782 0.82 CTSK (0.54) CTSKCTSBCTSSCTSL

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-0672648-B1 Threo (2R,3S)-3-amino-2-hydroxypentanoic acid and threo (2R,3S)-3-(p-methoxy-benzyloxycarbonyl/FMOC) amino-2-hydroxy-pentanoic acid ZAIDAN HOJIN BISEIBUTSU (JP) 1998-09-23 EP disclosed
EP-0468339-B1 Alpha-keto-amide derivatives having protease inhibiting activity NIPPON KAYAKU KK (JP) 1997-04-09 EP disclosed
EP-0672648-A1 Threo-3-amino-2-hydroxypentanoic acid and threo (2R,3S), (2S,3R)-3-(p-methoxy-benzyloxycarbonyl) amino-2-hydroxy-pentanoic acid ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1995-09-20 EP disclosed
US-5359138-A Endopeptidase inhibitors for treatment of amnesia and autoimmune diseases ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1994-10-25 US disclosed
US-5162500-A POSTSTATIN AND RELATED COMPOUNDS OR SALTS THEREOF ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1992-11-10 US disclosed
EP-0423358-A1 POSTOSTATIN AND RELATED COMPOUND THEREOF, OR THEIR SALTS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1991-04-24 EP disclosed