Sugi Predict

Sugi Predict / Compounds / SCHEMBL7621869

SCHEMBL7621869

SCHEMBL7621869

C=CC(=O)OC(C)(C)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 6/20 0.36
▸ CA2 P00918 6/20 0.36
▸ MMP1 P03956 6/20 0.36
▸ MMP2 P08253 6/20 0.36
▸ MMP9 P14780 6/20 0.36
▸ MMP8 P22894 6/20 0.36
▸ MMP13 P45452 6/20 0.36

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
SCHEMBL3188419 0.79 CA2 (0.43) CA1CA2MMP1MMP2MMP9
SCHEMBL5702180 0.78 CA1 (0.42) CA1CA2MMP1MMP2MMP9
SCHEMBL11787529 0.78 CA2 (0.45) CA1CA2MMP1MMP2MMP9
SCHEMBL5399542 0.78 CA2 (0.45) CA1CA2MMP1MMP2MMP9
SCHEMBL3646279 0.77 CA2 (0.44) CA1CA2MMP1MMP2MMP9
SCHEMBL9070226 0.77 CA2 (0.44) CA1CA2MMP1MMP2MMP9
SCHEMBL7621877 0.71 TSHR (0.45) CA1CA2MMP1MMP2MMP9
SCHEMBL740188 0.70 CA2 (0.47) CA1CA2MMP1MMP2MMP9
SCHEMBL10151019 0.70 ALDH1A1 (0.41) —
SCHEMBL7623737 0.69 CA1 (0.48) CA1CA2MMP1MMP2MMP9

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
EP-1246856-A1 FLUOROCHEMICAL SULFONAMIDE SURFACTANTS 3M Innovative Properties Company (US) 2002-10-09 — — EP disclosed
WO-2001030873-A1 FLUOROCHEMICAL SULFONAMIDE SURFACTANTS 3M INNOVATIVE PROPERTIES COMPANY (US) 2001-05-03 — — WO disclosed