SCHEMBL6575629

SCHEMBL6575629

O=C(O)CCC(=O)N[C@@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)C(=O)NCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.46
KLK1 P06870 1/20 0.46
PTPN1 P18031 4/20 0.45
FOLH1 Q04609 5/20 0.45
MME P08473 1/20 0.44
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
LCK P06239 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42

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
SCHEMBL6575632 1.00 KLKB1 (0.46) KLKB1KLK1PTPN1FOLH1MME
SCHEMBL6573593 0.88 PTPN1 (0.46) KLKB1KLK1PTPN1FOLH1MME
SCHEMBL6573589 0.88 PTPN1 (0.46) KLKB1KLK1PTPN1FOLH1MME
SCHEMBL6572832 0.86 SRC (0.55) PTPN1FOLH1
SCHEMBL6572828 0.86 SRC (0.55) PTPN1FOLH1
SCHEMBL6572632 0.86 ITGB3 (0.48) KLKB1KLK1PTPN1FOLH1PTPN22
SCHEMBL6572635 0.86 ITGB3 (0.48) KLKB1KLK1PTPN1FOLH1PTPN22
SCHEMBL6575538 0.83 SRD5A2 (0.45) PTPN1FOLH1
SCHEMBL6571434 0.83 PTPN1 (0.62) PTPN1
SCHEMBL6572344 0.83 PTPN1 (0.62) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019364-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PHARMACIA & UPJOHN COMPANY (US) 2000-07-19 EP claimed
WO-1999011606-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PHARMACIA & UPJOHN COMPANY (US) 1999-03-11 WO claimed
EP-1019364-B1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE BIOVITRUM AB (SE) 2004-06-09 EP disclosed
US-6410585-B1 THERAPY FOR NON-INSULIN DEPEND DIABETES BIOVITRUM AB (SE) 2002-06-25 US disclosed
US-6353023-B1 AROMATIC COMPOUNDS WITH AMIDE GROUPS PHARMACIA & UPJOHN COMPANY 2002-03-05 US disclosed
EP-1019364-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PHARMACIA & UPJOHN COMPANY (US) 2000-07-19 EP disclosed
WO-1999011606-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PHARMACIA & UPJOHN COMPANY (US) 1999-03-11 WO disclosed