SCHEMBL5134686

SCHEMBL5134686

CP(=O)(O)COS(=O)(=O)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.42
PTGS2 P35354 4/20 0.36
GRM4 Q14833 1/20 0.36
PTPN1 P18031 1/20 0.36
KMT2A Q03164 1/20 0.36
GSR P00390 2/20 0.35
PTGS1 P23219 1/20 0.34

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
SCHEMBL140943 0.86 STAT3 (0.43) KMT2A
SCHEMBL140930 0.74 MMP2 (0.47) KMT2A
SCHEMBL28996978 0.74 ENPP2 (0.46) ENPP2PTGS2PTGS1
Magnesium SCHEMBL30746780 0.72 ENPP2 (0.45) ENPP2PTGS2PTGS1
Hydrochloric Acid SCHEMBL29163882 0.72 ENPP2 (0.45) ENPP2PTGS2GSRPTGS1
SCHEMBL23703227 0.71 GAA (0.43) KMT2A
SCHEMBL3149080 0.70 CA2 (0.47) KMT2A
SCHEMBL14390991 0.70 STAT3 (0.42) KMT2A
SCHEMBL8763931 0.70 SMN1; SMN2 (0.40) KMT2A
Butane SCHEMBL15941687 0.70 MMP2 (0.44) KMT2A

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-1891080-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2008-02-27 EP disclosed
WO-2006128055-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2006-11-30 WO disclosed