SCHEMBL2553161

SCHEMBL2553161

CS(=O)(=O)c1cc(B(O)O)ccc1CO

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.47
NR1H2 P55055 8/20 0.34
LPL P06858 2/20 0.33
LIPG Q9Y5X9 2/20 0.33
NR1H3 Q13133 6/20 0.33
RXRA P19793 2/20 0.33
CA2 P00918 2/20 0.32
CA1 P00915 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL2554451 0.82 ENPP2 (0.43) ENPP2CA2PTGS2
SCHEMBL12179249 0.77 NR1H2 (0.39) NR1H2
SCHEMBL16904955 0.77 ENPP2 (0.42) ENPP2NR1H2NR1H3
SCHEMBL4010773 0.77 ENPP2 (0.52) ENPP2LPLLIPGCA2CA1
SCHEMBL24804602 0.76 HSD17B10 (0.41) ENPP2PTGS2
SCHEMBL27208016 0.76 CYP1A2 (0.40) ENPP2PTGS2
SCHEMBL27232415 0.76 CYP1A2 (0.40) ENPP2PTGS2
SCHEMBL16616435 0.75 PSEN1 (0.47)
SCHEMBL20093239 0.75 ENPP2 (0.50) ENPP2LPLLIPGCA2CA1
SCHEMBL1792921 0.75 WDR5 (0.40) NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed