Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6173596

N/N=C\c1cccc(CC(NC(=O)OCc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C(N)=O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 14/20 0.44
▸ F2 P00734 13/20 0.44
▸ PRSS2 P07478 12/20 0.44
▸ PRSS3 P35030 12/20 0.44
▸ F10 P00742 7/20 0.43
▸ PLG P00747 1/20 0.42
▸ PLAT P00750 1/20 0.42
▸ F7 P08709 1/20 0.42
▸ CTSL P07711 1/20 0.41

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 SCHEMBL6170767 0.89 PRSS1 (0.41) PRSS1F2PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL6169380 0.86 PRSS1 (0.46) PRSS1F2PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL6166128 0.83 F10 (0.49) PRSS1F2PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL6166135 0.83 F10 (0.49) PRSS1F2PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL6162400 0.83 F10 (0.51) PRSS1F2PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL6167607 0.82 F10 (0.48) PRSS1F2PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL6167616 0.82 F10 (0.48) PRSS1F2PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL6165828 0.77 ALDH1A1 (0.44) PRSS1F2PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL6165839 0.77 ALDH1A1 (0.44) PRSS1F2PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7101960 0.76 F10 (0.49) PRSS1F2PRSS2PRSS3F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 — — EP claimed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 — — EP claimed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 — — WO claimed