SCHEMBL4781833

SCHEMBL4781833

CC(C)Cn1cc(-c2ccc(N3CC(=O)NS3(=O)=O)c(O)c2)cn1.O=c1[nH][s+]([O-])[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.45
PRMT5 O14744 2/20 0.41
WDR77 Q9BQA1 2/20 0.41
NAMPT P43490 2/20 0.37
IDH1 O75874 1/20 0.34
CTSK P43235 1/20 0.33
CTSC P53634 1/20 0.33
PTPN2 P17706 4/20 0.33
USP30 Q70CQ3 1/20 0.32
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32
JAK2 O60674 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
LIPC P11150 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
SCHEMBL3216298 0.92 PTPN1 (0.52) PTPN1PRMT5WDR77NAMPTIDH1
SCHEMBL3226584 0.85 PTPN1 (0.52) PTPN1PRMT5WDR77NAMPTIDH1
SCHEMBL3214685 0.83 PTPN1 (0.50) PTPN1PRMT5WDR77NAMPTPTPN2
SCHEMBL3201397 0.80 PTPN1 (0.53) PTPN1PRMT5WDR77NAMPTCTSK
SCHEMBL2937480 0.76 PTPN1 (0.50) PTPN1PRMT5WDR77NAMPTPTPN2
SCHEMBL31328076 0.76 PTPN1 (0.50) PTPN1PRMT5WDR77NAMPTPTPN2
SCHEMBL4782763 0.74 PTPN1 (0.46) PTPN1PTPN2
SCHEMBL12056201 0.74 PTPN1 (0.74) PTPN1PTPN2
SCHEMBL27737851 0.73 PRMT5 (0.39) PRMT5WDR77NAMPTIDH1CTSK
SCHEMBL3213594 0.72 PTPN1 (0.53) PTPN1PRMT5WDR77NAMPTCTSK

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008067527-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS NOVARTIS AG (CH) 2008-06-05 WO disclosed