SCHEMBL7680157

SCHEMBL7680157

COC(=O)COc1ccc(C[C@@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.56
PTPN22 Q9Y2R2 1/20 0.48
CTSS P25774 5/20 0.47
CTSK P43235 4/20 0.47
CTSB P07858 3/20 0.47
CTSL P07711 1/20 0.47
REN P00797 3/20 0.46
HDAC8 Q9BY41 2/20 0.45
ACE P12821 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44

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
SCHEMBL7674386 0.91 PTPN1 (0.61) PTPN1PTPN22CTSSCTSKCTSB
SCHEMBL7672421 0.88 PTPN1 (0.58) PTPN1PTPN22CTSSCTSKCTSB
SCHEMBL6574995 0.87 PTPN1 (0.72) PTPN1PTPN22CTSSCTSKCTSB
SCHEMBL4650306 0.85 PTPN1 (0.51) PTPN1PTPN22CTSSCTSKCTSB
SCHEMBL4650261 0.84 PTPN1 (0.51) PTPN1PTPN22CTSSCTSKCTSB
SCHEMBL13669577 0.82 CTSS (0.67) CTSSCTSKCTSBCTSLREN
SCHEMBL7672944 0.80 PTPN1 (0.72) PTPN1PTPN22REN
SCHEMBL4650405 0.80 PTPN1 (0.53) PTPN1PTPN22CTSSCTSKCTSB
SCHEMBL7680136 0.79 PTPN1 (0.78) PTPN1PTPN22
SCHEMBL6571372 0.79 PTPN1 (0.88) PTPN1PTPN22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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