SCHEMBL6572704

SCHEMBL6572704

CCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.58
PTPN22 Q9Y2R2 2/20 0.58
CTSS P25774 3/20 0.55
PTPRA P18433 1/20 0.53
PPARA Q07869 2/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PPARG P37231 1/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49
REN P00797 1/20 0.49
AKT1 P31749 1/20 0.49
PSMB8 P28062 1/20 0.48
PSMB9 P28065 1/20 0.48
PSMB5 P28074 1/20 0.48

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
SCHEMBL6571465 0.93 PTPN1 (0.65) PTPN1PTPN22CTSSPTPRACTSL
SCHEMBL6572579 0.89 PTPN1 (0.64) PTPN1PTPN22CTSSPTPRACTSL
SCHEMBL6572625 0.89 PTPN1 (0.67) PTPN1PTPN22CTSSPTPRACTSL
SCHEMBL6572629 0.89 PTPN1 (0.67) PTPN1PTPN22CTSSPTPRACTSL
SCHEMBL6573532 0.89 PTPN1 (0.60) PTPN1PTPN22CTSSPTPRACTSL
SCHEMBL6571529 0.88 PTPN1 (0.56) PTPN1PTPN22PTPRAPSMB8PSMB9
SCHEMBL6575040 0.88 PTPN1 (0.65) PTPN1PTPN22CTSSPTPRAPPARA
SCHEMBL6572831 0.88 PTPN1 (0.64) PTPN1PTPN22CTSSPTPRACTSL
SCHEMBL6572795 0.88 PTPN1 (0.61) PTPN1PTPN22CTSSPTPRACTSL
SCHEMBL6575145 0.87 PTPN1 (0.58) PTPN1PTPN22CTSSPTPRAPPARA

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