Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6804030

NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.76
TPSAB1 Q15661 18/20 0.57
PRSS1 P07477 1/20 0.56
PRSS2 P07478 1/20 0.56
PRSS3 P35030 1/20 0.56

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
SCHEMBL301845 0.95 F10 (0.67) F10TPSAB1PRSS1PRSS2PRSS3
SCHEMBL972001 0.90 F10 (0.62) F10TPSAB1PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL1381804 0.90 F10 (0.80) F10TPSAB1PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL1382400 0.84 TPSAB1 (0.58) F10TPSAB1
SCHEMBL4408248 0.84 F10 (0.71) F10TPSAB1PRSS1PRSS2PRSS3
SCHEMBL6808390 0.84 F10 (0.55) F10TPSAB1PRSS1PRSS2PRSS3
SCHEMBL302010 0.80 F10 (0.51) F10TPSAB1PRSS1PRSS2PRSS3
SCHEMBL15788530 0.80 F10 (0.51) F10TPSAB1PRSS1PRSS2PRSS3
SCHEMBL6807311 0.79 F10 (0.49) F10TPSAB1PRSS1PRSS2PRSS3
SCHEMBL18652788 0.79 F10 (0.49) F10TPSAB1PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040192734-A1 4-(3-aminomethylphenyl)piperidin-1-yl]-[5-(2-fluorophenylethynyl)furan-2-yl]-methanone as an inhibitor of mast cell tryptase AVENTIS PHARMACEUTICALS INC. (US) 2004-09-30 US disclosed
WO-2004060884-A1 [4-(3-AMINOMETHYLPHENYL) PIPERIDIN-1-YL]- [5-(2-FLUOROPHENYLETHYNYL)FURAN-2-YL]-METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 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 (1 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-20040192734-A1 4-(3-aminomethylphenyl)piperidin-1-yl]-[5-(2-fluorophenylethynyl)furan-2-yl]-methanone as an inhibitor of mast cell tryptase CMA1, TPSB2, TPSAB1 F10 488/4885TPSAB1 3/4885PRSS1 30/4885

“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.