SCHEMBL7671807

SCHEMBL7671807

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)NCc1cccnc1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 13/20 0.72
PTPN22 Q9Y2R2 1/20 0.52
REN P00797 2/20 0.51
CYP3A4 P08684 3/20 0.48
CTSS P25774 2/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSK P43235 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
SCHEMBL7693854 0.92 PTPN1 (0.80) PTPN1PTPN22CTSSCTSLCTSB
SCHEMBL7693851 0.92 PTPN1 (0.80) PTPN1PTPN22CTSSCTSLCTSB
SCHEMBL7674539 0.88 PTPN1 (0.74) PTPN1PTPN22CTSSCTSLCTSB
SCHEMBL7680706 0.86 PTPN1 (0.83) PTPN1PTPN22CTSSCTSLCTSB
SCHEMBL7672386 0.86 PTPN1 (0.83) PTPN1PTPN22CTSSCTSLCTSB
SCHEMBL7798217 0.85 PTPN1 (0.82) PTPN1PTPN22CTSSCTSLCTSB
SCHEMBL7673490 0.84 PTPN1 (0.86) PTPN1PTPN22CTSSCTSLCTSB
SCHEMBL7671723 0.84 PTPN1 (0.86) PTPN1PTPN22CTSSCTSLCTSB
SCHEMBL7680961 0.84 PTPN1 (0.75) PTPN1PTPN22RENCTSSCTSL
SCHEMBL7677827 0.83 PTPN1 (0.80) PTPN1PTPN22CTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002539115-A 2002-11-19 JP claimed
EP-1161421-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE Pharmacia & Upjohn Aktiebolag (SE) 2001-12-12 EP claimed
WO-2000053583-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE BIOVITRUM AB (SE) 2000-09-14 WO claimed
US-6410585-B1 THERAPY FOR NON-INSULIN DEPEND DIABETES BIOVITRUM AB (SE) 2002-06-25 US disclosed
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