SCHEMBL7565443

SCHEMBL7565443

O=C(O)c1c(NC2CCCCO2)sc2c1CCOC2CN1C(=O)c2cccc(O)c2C1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPRB P23467 1/20 0.38
KEAP1 Q14145 4/20 0.34
ALDH1A1 P00352 7/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 2/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 1/20 0.30
PABPC1 P11940 1/20 0.30

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
SCHEMBL7155796 0.91 PTPN2 (0.43) PTPN2PTPN1PTPRBKEAP1ALDH1A1
SCHEMBL7572308 0.87 PTPN1 (0.35) PTPN1KEAP1ALDH1A1CYP1A2CYP2C9
SCHEMBL5837045 0.85 PTPN1 (0.52) PTPN2PTPN1PTPRB
SCHEMBL5843765 0.82 ALDH1A1 (0.38) KEAP1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5843448 0.81 ALDH1A1 (0.40) PTPN2PTPN1PTPRBALDH1A1KDM4E
SCHEMBL7536578 0.76 PTPN1 (0.38) PTPN2PTPN1PTPRB
SCHEMBL6208795 0.75 PTPN1 (0.59) PTPN2PTPN1PTPRBALDH1A1CYP1A2
SCHEMBL7564859 0.74 PARP1 (0.37) PTPN1MEN1KMT2A
SCHEMBL7537984 0.74 PTPN2 (0.36) PTPN2PTPN1PTPRBMEN1KMT2A
SCHEMBL7538674 0.73 CA9 (0.45) ALDH1A1CYP2C9CYP2C19KDM4EMEN1

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-1214060-A2 METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
WO-2001017516-A2 METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK A/S (DK) 2001-03-15 WO disclosed