SCHEMBL9686663

SCHEMBL9686663

NS(=O)(=O)CC(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
ITGB3 P05106 4/20 0.52
ITGA2B P08514 4/20 0.52
MMP13 P45452 3/20 0.52
PPARA Q07869 2/20 0.52
CASP1 P29466 1/20 0.52
PPARG P37231 1/20 0.52
CTSK P43235 3/20 0.51
TACR1 P25103 2/20 0.51
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50

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
SCHEMBL7349434 1.00 CA12 (0.57) CA12CA1CA2CA9ITGB3
SCHEMBL22783671 0.87 PPARA (0.53) CA12CA1CA2CA9MMP13
SCHEMBL4456622 0.86 CA12 (0.55) CA12CA1CA2CA9ITGB3
SCHEMBL4456625 0.86 CA12 (0.55) CA12CA1CA2CA9ITGB3
SCHEMBL7283452 0.86 CTSK (0.54) MMP13PPARACASP1PPARGCTSK
SCHEMBL2749553 0.86 PPARA (0.53) CA12CA1CA2CA9ITGB3
SCHEMBL12226071 0.85 MMP13 (0.51) CA12CA1CA2CA9ITGB3
SCHEMBL10603735 0.85 SYK (0.54) CA12CA1CA2CA9MMP13
SCHEMBL6841173 0.84 CA1 (0.58) CA12CA1CA2CA9CTSK
SCHEMBL30630026 0.84 CA1 (0.58) CA12CA1CA2CA9CTSK

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-0191989-B1 ANTIBIOTIC ISOXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-09-02 EP disclosed
US-4897489-A 2-/5-OXO-2-TETRAHYDROFURANY4-3-OXOISOXOL-IDINE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-01-30 US disclosed
EP-0191989-A1 Antibiotic isoxazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-08-27 EP disclosed