Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5744677

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

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRB2 P62993 1/20 0.39
SLC1A2 P43004 4/20 0.37
SLC1A1 P43005 4/20 0.37
SLC1A3 P43003 3/20 0.37
PTPN1 P18031 1/20 0.36
SLC7A5 Q01650 1/20 0.36
S1PR1 P21453 5/20 0.36
S1PR3 Q99500 5/20 0.36
S1PR2 O95136 4/20 0.36
S1PR5 Q9H228 3/20 0.36
GRIK1 P39086 4/20 0.36
GRIK2 Q13002 3/20 0.36
BHMT Q93088 3/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
PTGS1 P23219 1/20 0.34
SLC7A11 Q9UPY5 1/20 0.34
GSR P00390 1/20 0.34

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
SCHEMBL18762462 0.90 SLC1A2 (0.43) SLC1A2SLC1A1SLC1A3SLC7A5GRIK1
SCHEMBL7376089 0.90 SLC1A2 (0.43) SLC1A2SLC1A1SLC1A3SLC7A5GRIK1
SCHEMBL12189727 0.90 SLC1A2 (0.43) SLC1A2SLC1A1SLC1A3SLC7A5GRIK1
Hydrochloric Acid SCHEMBL6934105 0.88 SLC1A2 (0.42) SLC1A2SLC1A1SLC1A3SLC7A5GRIK1
Trifluoroacetic Acid SCHEMBL18762609 0.85 GRB2 (0.39) GRB2SLC1A2SLC1A1SLC1A3PTPN1
Trifluoroacetic Acid SCHEMBL4576488 0.82 GRB2 (0.42) GRB2SLC1A2SLC1A1SLC1A3PTPN1
Trifluoroacetic Acid SCHEMBL27695113 0.82 GRB2 (0.42) GRB2SLC1A2SLC1A1SLC1A3PTPN1
SCHEMBL18775025 0.79 SLC7A5 (0.40) SLC1A2SLC1A1SLC1A3SLC7A5GRIK1
SCHEMBL18774911 0.76 SLC7A5 (0.41) SLC1A2SLC1A1SLC1A3SLC7A5GRIK1
SCHEMBL18762498 0.76 SLC7A5 (0.41) SLC1A2SLC1A1SLC1A3SLC7A5GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358183-B1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2006-04-12 EP disclosed
US-20050070598-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2005-03-31 US disclosed
US-20050020588-A1 Cysteine protease inhibitors PEPTIMMUNE, INC. 2005-01-27 US disclosed
US-20040229915-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2004-11-18 US disclosed
EP-1178986-B1 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LTD (GB) 2004-02-25 EP disclosed
EP-1358183-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2003-11-05 EP disclosed
US-20030203900-A1 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2003-10-30 US disclosed
US-20030186962-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2003-10-02 US disclosed
EP-1345931-A2 CYSTEINE PROTEASE INHIBITORS Medivir UK Ltd (GB) 2003-09-24 EP disclosed
WO-2002088106-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2002-11-07 WO disclosed
WO-2002040462-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LIMITED (GB) 2002-05-23 WO disclosed
EP-1178986-A2 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S Medivir UK Ltd (GB) 2002-02-13 EP disclosed
WO-2000069855-A2 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LIMITED (GB) 2000-11-23 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 (5 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-20030186962-A1 Cysteine protease inhibitors C1R, CTSS, CTSZ GRB2 1518/4885SLC1A2 4253/4885SLC1A1 3823/4885
US-20050070598-A1 Cysteine protease inhibitors CTRL, CTSZ, CTSS GRB2 1956/4885SLC1A2 4246/4885SLC1A1 3418/4885
US-20050020588-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV GRB2 2086/4885SLC1A2 4493/4885SLC1A1 4372/4885
US-20040229915-A1 Cysteine protease inhibitors C1R, CTRL, CTSK GRB2 702/4885SLC1A2 3340/4885SLC1A1 2676/4885
US-20030203900-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV GRB2 2086/4885SLC1A2 4493/4885SLC1A1 4372/4885

“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.