Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5404974

CS(=O)(=O)N1C[C@H](S)C[C@H]1CC(N)c1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.39
DPP7 Q9UHL4 6/20 0.39
GNRHR P30968 13/20 0.38
ECE1 P42892 1/20 0.35
DPP8 Q6V1X1 1/20 0.35

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 SCHEMBL5404968 0.77 ECE1 (0.36) ECE1
Trifluoroacetic Acid SCHEMBL5401864 0.77 HDAC3 (0.38) ECE1
SCHEMBL5407226 0.71 KMT2A (0.36) ECE1
SCHEMBL5415653 0.66 ECE1 (0.41) ECE1
SCHEMBL7144794 0.66 ECE1 (0.41) ECE1
SCHEMBL5404048 0.65 ECE1 (0.33) ECE1
SCHEMBL7148484 0.65 NPC1 (0.49)
Trifluoroacetic Acid SCHEMBL6953329 0.63 KMT2A (0.49) DPP4DPP7GNRHRDPP8
Trifluoroacetic Acid SCHEMBL15664189 0.60 GBA1 (0.44) DPP7GNRHRDPP8
Trifluoroacetic Acid SCHEMBL19305353 0.59 TACR1 (0.49) DPP7GNRHRDPP8

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 5 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
US-20020040146-A1 Pyrrolidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2002-04-04 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 (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 DPP4 80/4885DPP7 57/4885GNRHR 3146/4885
US-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 DPP4 80/4885DPP7 57/4885GNRHR 3146/4885
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 DPP4 95/4885DPP7 86/4885GNRHR 3522/4885

“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.