Sugi Predict

Sugi Predict / Compounds / SCHEMBL3548915

SCHEMBL3548915

SCHEMBL3548915

NS(=O)(=O)Oc1ccc2c(c1)OC(=O)N(c1ccccc1OS(N)(=O)=O)C2

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 13/20 0.40
▸ CA2 P00918 7/20 0.39
▸ CA9 Q16790 6/20 0.39
▸ CA1 P00915 5/20 0.39
▸ CA7 P43166 1/20 0.38
▸ MIF P14174 1/20 0.37

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
SCHEMBL3544385 0.92 MIF (0.44) STSCA2CA9CA1CA7
SCHEMBL3543484 0.89 STS (0.40) STSCA2CA9CA1CA7
SCHEMBL2784133 0.86 CA2 (0.42) STSCA2CA9CA1CA7
SCHEMBL2766273 0.85 STS (0.43) STSCA2CA9CA1CA7
SCHEMBL3546808 0.82 CA2 (0.45) STSCA2CA9CA1CA7
SCHEMBL3545608 0.82 MIF (0.46) STSCA2CA9CA1CA7
SCHEMBL3544246 0.78 MIF (0.53) STSCA2CA9CA1CA7
SCHEMBL3543201 0.78 MIF (0.50) STSCA2CA9CA1CA7
SCHEMBL13166570 0.77 MIF (0.44) STSCA2CA9CA1CA7
SCHEMBL3628429 0.76 CA2 (0.41) CA2CA9CA1CA7MIF

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
US-7795251-B2 3,4-dihydro-benzo[e][1,3]oxazin-2-ones NOVARTIS AG (CH) 2010-09-14 — — US disclosed
EP-1874742-A1 3,4-DIHYDRO-BENZO[E][1,3]OXAZIN-2-ONES Novartis AG (CH) 2008-01-09 — — EP disclosed
WO-2006108671-A1 3,4-DIHYDRO-BENZO[E][1,3]OXAZIN-2-ONES NOVARTIS AG (CH) 2006-10-19 — — WO disclosed