SCHEMBL27745950

SCHEMBL27745950

COc1ccccc1CCc1ccc2cc(O)c(N3CC(C=O)NS3(=O)=O)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ABCB1 P08183 5/20 0.34
MPO P05164 2/20 0.34
NR3C2 P08235 1/20 0.33
NR1H3 Q13133 1/20 0.33
CETP P11597 1/20 0.33
SOX18 P35713 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADRB2 P07550 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
SCHEMBL27758463 0.90 MPO (0.37) PTPN1MEN1KMT2AABCB1MPO
SCHEMBL27760075 0.87 PTPN1 (0.48) PTPN1KMT2ATP53CYP3A4ALOX15
SCHEMBL27745955 0.87 PTPN1 (0.46) PTPN1MEN1KMT2ANR1H3
SCHEMBL27745954 0.84 PTPN1 (0.38) PTPN1
SCHEMBL27745951 0.83 PTPN1 (0.35) PTPN1SOX18ALOX15ADRB2
SCHEMBL27760136 0.82 PTPN1 (0.40) PTPN1MEN1KMT2AMPOADRB2
SCHEMBL27725129 0.81 PTPN1 (0.40) PTPN1
SCHEMBL27745946 0.81 PTPN1 (0.36) PTPN1
SCHEMBL27725116 0.81 PTPN1 (0.37) PTPN1
SCHEMBL630068 0.80 PTPN1 (0.64) PTPN1MEN1KMT2AABCB1NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101326173-A Thiadiazoles derivant as anti-diabetes agent NOVARTIS AG (CH) 2008-12-17 CN claimed
CN-101883579-A Combination of protein tyrosine phosphatase inhibitors and human growth hormone for the treatment of muscle atrophy and related disorders NOVARTIS AG 2010-11-10 CN disclosed
CN-101547694-A Protein tyrosine phosphatase inhibitors for promoting physiological cardiac hypertrophy NOVARTIS AG (CH) 2009-09-30 CN disclosed
CN-101326173-A Thiadiazoles derivant as anti-diabetes agent NOVARTIS AG (CH) 2008-12-17 CN disclosed