SCHEMBL7798217

SCHEMBL7798217

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCC(=O)O)c(C(=O)O)c1)C(=O)NCCc1ccccc1.[NaH].[NaH]

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 15/20 0.82
PTPN22 Q9Y2R2 1/20 0.56
CTSS P25774 2/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSK P43235 1/20 0.52
AKT1 P31749 1/20 0.51
CA2 P00918 1/20 0.50
PSMB1 P20618 1/20 0.49
PSMB8 P28062 1/20 0.49
PSMB9 P28065 1/20 0.49
PSMB5 P28074 1/20 0.49

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
SCHEMBL7680706 0.99 PTPN1 (0.83) PTPN1PTPN22CTSSCTSLCTSB
SCHEMBL7673490 0.94 PTPN1 (0.86) PTPN1PTPN22CTSSCTSLCTSB
SCHEMBL6572424 0.94 PTPN1 (0.88) PTPN1PTPN22CTSS
SCHEMBL7676519 0.93 PTPN1 (0.76) PTPN1PTPN22CTSSCTSLCTSB
SCHEMBL7672386 0.92 PTPN1 (0.83) PTPN1PTPN22CTSSCTSLCTSB
SCHEMBL7671723 0.91 PTPN1 (0.86) PTPN1PTPN22CTSSCTSLCTSB
SCHEMBL7693854 0.91 PTPN1 (0.80) PTPN1PTPN22CTSSCTSLCTSB
SCHEMBL7693851 0.91 PTPN1 (0.80) PTPN1PTPN22CTSSCTSLCTSB
SCHEMBL7680961 0.91 PTPN1 (0.75) PTPN1PTPN22CTSSCTSLCTSB
SCHEMBL7680978 0.90 PTPN1 (0.85) PTPN1PTPN22CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161421-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE Pharmacia & Upjohn Aktiebolag (SE) 2001-12-12 EP disclosed
WO-2000053583-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE BIOVITRUM AB (SE) 2000-09-14 WO disclosed