SCHEMBL6572527

SCHEMBL6572527

CCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)NC(=O)C(CC(=O)O)CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.51
MMP1 P03956 6/20 0.51
MMP3 P08254 5/20 0.51
PTPN1 P18031 7/20 0.48
PTPN22 Q9Y2R2 1/20 0.48
MMP9 P14780 1/20 0.48
KLKB1 P03952 1/20 0.47
MMP8 P22894 1/20 0.47
PLG P00747 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45

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
SCHEMBL6572532 1.00 MMP2 (0.51) MMP2MMP1MMP3PTPN1PTPN22
SCHEMBL6575213 0.88 PTPN1 (0.54) PTPN1PTPN22
SCHEMBL6575231 0.88 PTPN1 (0.54) PTPN1PTPN22
SCHEMBL6572984 0.88 PTPN1 (0.55) PTPN1
SCHEMBL6571541 0.88 PTPN1 (0.59) PTPN1
SCHEMBL6572344 0.86 PTPN1 (0.62) PTPN1
SCHEMBL6571438 0.86 PTPN1 (0.62) PTPN1
SCHEMBL6571390 0.86 KLKB1 (0.51) PTPN1PTPN22KLKB1PLGPRSS1
SCHEMBL6571434 0.86 PTPN1 (0.62) PTPN1
SCHEMBL6571395 0.86 KLKB1 (0.51) PTPN1PTPN22KLKB1PLGPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6353023-B1 AROMATIC COMPOUNDS WITH AMIDE GROUPS PHARMACIA & UPJOHN COMPANY 2002-03-05 US claimed
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