Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5404968

CS(=O)(=O)N1C[C@H](S)C[C@H]1CCNc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.36
CACNA1B Q00975 6/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
ELOVL6 Q9H5J4 1/20 0.32
MAN1B1 Q9UKM7 1/20 0.32
CA12 O43570 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
ALOX15 P16050 1/20 0.31
CYP2D6 P10635 1/20 0.31
OPRK1 P41145 1/20 0.31

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 SCHEMBL5401864 0.80 HDAC3 (0.38) ECE1L3MBTL1KDM4E
Trifluoroacetic Acid SCHEMBL5404974 0.77 DPP4 (0.39) ECE1
Trifluoroacetic Acid SCHEMBL5419852 0.77 POLB (0.39) ECE1CYP2D6
SCHEMBL7144794 0.72 ECE1 (0.41) ECE1KDM4E
SCHEMBL7137605 0.69 ECE1 (0.42) ECE1L3MBTL1
SCHEMBL5407509 0.69 ECE1 (0.42) ECE1L3MBTL1
SCHEMBL5399402 0.66 ECE1 (0.45) ECE1L3MBTL1MAPTMMP2MMP9
SCHEMBL6810715 0.65 GLA (0.36) ECE1
SCHEMBL5404048 0.65 ECE1 (0.33) ECE1
SCHEMBL7140645 0.64 ECE1 (0.33) ECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189756-B2 Pyrrolidine derivatives HOFFMAN-LA ROCHE INC. (US) 2007-03-13 US disclosed
US-20040242672-A1 Useful as inhibitors of metalloproteases, e.g. zinc proteases; effective in treating disease states associated with vasoconstriction such as high blood pressure, coronary disorders, cardiac insufficiency, renal and myocardial ischaemia, renal insufficiency, dialysis, cerebral ischaemia AEBI JOHANNES (CH) 2004-12-02 US disclosed
US-6790860-B2 USEFUL AS INHIBITORS OF METALLOPROTEASES, E.G. ZINC PROTEASES; EFFECTIVE IN TREATING DISEASE STATES ASSOCIATED WITH VASOCONSTRICTION HOFFMANN-LA ROCHE INC. 2004-09-14 US disclosed
US-20030199569-A1 Pyrrolidine derivatives AEBI JOHANNES (CH) 2003-10-23 US disclosed
EP-1303486-A1 PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
US-20020040146-A1 Pyrrolidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2002-04-04 US disclosed
WO-2002008185-A1 PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-31 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 (3 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-20030199569-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 ECE1 4/4885CACNA1B 1801/4885L3MBTL1 3776/4885
US-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 ECE1 4/4885CACNA1B 1801/4885L3MBTL1 3776/4885
US-20040242672-A1 Useful as inhibitors of metalloproteases, e.g. zinc proteases; effective in treating disease states associated with vasoconstriction such as high blood pressure, coronary disorders, cardiac insufficiency, renal and myocardial ischaemia, renal insufficiency, dialysis, cerebral ischaemia MMP1, PEPD, MMP25 ECE1 33/4885CACNA1B 700/4885L3MBTL1 3755/4885

“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.