SCHEMBL21553766

SCHEMBL21553766

Cc1ccc(S(=O)(=O)N2C[C@H](OS(C)(=O)=O)C[C@H]2COS(C)(=O)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CASP3 P42574 6/20 0.39
CASP7 P55210 5/20 0.39
MMP1 P03956 1/20 0.37
ADAM17 P78536 1/20 0.37
MMP2 P08253 1/20 0.37
ANPEP P15144 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
SCHEMBL2227004 1.00 MCOLN3 (0.42) MCOLN3L3MBTL1POLBALDH1A1KMT2A
SCHEMBL1569029 0.87 CYP2D6 (0.46) MCOLN3L3MBTL1POLBALDH1A1KMT2A
SCHEMBL1569030 0.87 CYP2D6 (0.46) MCOLN3L3MBTL1POLBALDH1A1KMT2A
SCHEMBL9214135 0.87 CYP2D6 (0.46) MCOLN3L3MBTL1POLBALDH1A1KMT2A
SCHEMBL26077272 0.86 MCOLN3 (0.45) MCOLN3L3MBTL1POLBALDH1A1KMT2A
SCHEMBL9686466 0.80 CYP2D6 (0.47) MCOLN3L3MBTL1POLBALDH1A1KMT2A
SCHEMBL4595283 0.80 CYP2D6 (0.47) MCOLN3L3MBTL1POLBALDH1A1KMT2A
SCHEMBL7565543 0.76 ALDH1A1 (0.43) MCOLN3L3MBTL1POLBALDH1A1KMT2A
SCHEMBL7565547 0.76 ALDH1A1 (0.43) MCOLN3L3MBTL1POLBALDH1A1KMT2A
SCHEMBL10845792 0.74 CYP2D6 (0.47) MCOLN3L3MBTL1POLBALDH1A1KMT2A

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-3790871-B1 FURIN INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-01-24 EP disclosed
EP-3790871-A1 FURIN INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2021-03-17 EP disclosed
WO-2019215341-A1 FURIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-11-14 WO disclosed