Methylphenylsulfone

SCHEMBL28097191

CCC(N[SH](=O)=O)(C(=O)O)c1ccccc1.CS(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	KIF11	P52732	2/20	0.37

▸	PTGS2	P35354	3/20	0.37

▸	CYP2C19	P33261	1/20	0.37

▸	ALDH1A1	P00352	1/20	0.36

▸	GAA	P10253	1/20	0.36

▸	HSD17B10	Q99714	1/20	0.36

▸	HSD11B1	P28845	2/20	0.35

▸	PSIP1	O75475	1/20	0.34

▸	HTT	P42858	1/20	0.34

▸	SMN1; SMN2	Q16637	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.

Compound	similarity	top predicted	shared targets
SCHEMBL8707463	0.76	CYP2C19 (0.48)	CYP2C19ALDH1A1GAAHSD17B10HTT
SCHEMBL14306296	0.71	KCNN4 (0.43)	KIF11CYP2C19ALDH1A1HTT
SCHEMBL4450821	0.71	KCNN4 (0.43)	KIF11CYP2C19ALDH1A1HTT
SCHEMBL4943741	0.70	CYP1A2 (0.46)	KIF11CYP2C19ALDH1A1HTT
SCHEMBL9829583	0.68	CXCR2 (0.42)	KIF11CYP2C19ALDH1A1HSD17B10HTT
SCHEMBL9829581	0.68	CXCR2 (0.42)	KIF11CYP2C19ALDH1A1HSD17B10HTT
SCHEMBL3937565	0.68	HDAC1 (0.42)	CYP2C19ALDH1A1GAAHSD17B10HTT
SCHEMBL8038268	0.67	ALDH1A1 (0.39)	KIF11CYP2C19ALDH1A1HTT
SCHEMBL8048287	0.67	ALDH1A1 (0.39)	KIF11CYP2C19ALDH1A1HTT
SCHEMBL2089895	0.67	MAPT (0.43)	KIF11CYP2C19ALDH1A1HTT

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-105919987-A	N-acyloxysulfonamide And N-hydroxy-n-acylsulfonamide Derivatives And Use Thereof	约翰斯霍普金斯大学	2016-09-07	—	—	CN	disclosed