SCHEMBL6572617

SCHEMBL6572617

CCCCCNC(=O)[C@H](Cc1ccc(OCC(=O)O)c(C(=O)O)c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(C)cc1

nearest known ligand 0.87

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 0.87
CHRNA1 P02708 2/20 0.49
CHRNG P07510 2/20 0.49
CHRNB1 P11230 2/20 0.49
CHRND Q07001 2/20 0.49
KLKB1 P03952 1/20 0.47
GRIA1 P42261 1/20 0.47

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
SCHEMBL6572803 0.97 PTPN1 (0.92) PTPN1CHRNA1CHRNGCHRNB1CHRND
SCHEMBL6571416 0.94 PTPN1 (0.87) PTPN1CHRNA1CHRNGCHRNB1CHRND
SCHEMBL6571565 0.93 PTPN1 (1.00) PTPN1CHRNA1CHRNGCHRNB1CHRND
SCHEMBL6572520 0.91 PTPN1 (1.00) PTPN1CHRNA1CHRNGCHRNB1CHRND
SCHEMBL6572824 0.91 PTPN1 (0.81) PTPN1CHRNA1CHRNGCHRNB1CHRND
SCHEMBL4317427 0.89 PTPN1 (1.00) PTPN1
SCHEMBL4317420 0.89 PTPN1 (1.00) PTPN1
SCHEMBL6571540 0.89 PTPN1 (0.84) PTPN1
SCHEMBL6574724 0.89 PTPN1 (1.00) PTPN1GRIA1
SCHEMBL6572512 0.88 PTPN1 (0.88) PTPN1GRIA1

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-B1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE BIOVITRUM AB (SE) 2004-06-09 EP claimed
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