SCHEMBL6575310

SCHEMBL6575310

CCCC[C@H](NC(=O)[C@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)NC(=O)CCC(=O)O)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.49
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
NPY4R P50391 2/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
NPY5R Q15761 1/20 0.42
CTSL P07711 1/20 0.42
CCKBR P32239 3/20 0.42
KISS1R Q969F8 1/20 0.42
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
CCKAR P32238 2/20 0.41
MMP3 P08254 1/20 0.41
PSMB5 P28074 1/20 0.41
PTPN2 P17706 1/20 0.40
PTPRA P18433 1/20 0.40
PTPN6 P29350 1/20 0.40

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
SCHEMBL6575626 0.84 PTPN1 (0.58) PTPN1
SCHEMBL6572344 0.83 PTPN1 (0.62) PTPN1
SCHEMBL6571438 0.83 PTPN1 (0.62) PTPN1
SCHEMBL6571434 0.83 PTPN1 (0.62) PTPN1
SCHEMBL6574908 0.83 PTPN1 (0.66) PTPN1
SCHEMBL6571541 0.83 PTPN1 (0.59) PTPN1
SCHEMBL6571404 0.82 PTPN1 (0.61) PTPN1
SCHEMBL6571396 0.82 PTPN1 (0.61) PTPN1
SCHEMBL6575070 0.82 PTPN1 (0.61) PTPN1
SCHEMBL6575066 0.82 PTPN1 (0.61) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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