SCHEMBL7537220

SCHEMBL7537220

CC(=O)N(Cc1ccc(Oc2ccccc2)cc1)C[C@@H]1NCCc2c1sc(NC1CCCCO1)c2C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.37
P2RX7 Q99572 2/20 0.33
LPAR1 Q92633 3/20 0.33
LPAR5 Q9H1C0 3/20 0.33
LTA4H P09960 1/20 0.32
GHSR Q92847 3/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7557647 0.93 PTPN1 (0.37) PTPN1GHSRMEN1HTTKMT2A
SCHEMBL5810842 0.79 RAB9A (0.51) PTPN1MEN1KMT2ASMN1; SMN2
SCHEMBL5810837 0.79 RAB9A (0.51) PTPN1MEN1KMT2ASMN1; SMN2
SCHEMBL5837749 0.76 PTPN1 (0.48) PTPN1
SCHEMBL7096351 0.73 KDM4E (0.43) PTPN1MEN1KMT2A
SCHEMBL5794533 0.72 PTPN1 (0.40) PTPN1MEN1MAPTHTTKMT2A
SCHEMBL7578658 0.70 HPGD (0.36) PTPN1MEN1MAPTHTTKMT2A
SCHEMBL5773123 0.69 PTPN1 (0.58) PTPN1P2RX7MEN1MAPTHTT
SCHEMBL7540101 0.69 PTPN1 (0.31) PTPN1
SCHEMBL7572308 0.68 PTPN1 (0.35) PTPN1MEN1KMT2A

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 claimed
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 claimed