SCHEMBL7674386

SCHEMBL7674386

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

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.61
PTPN22 Q9Y2R2 1/20 0.53
ACE P12821 1/20 0.52
CTSS P25774 5/20 0.49
CTSK P43235 4/20 0.49
CTSB P07858 3/20 0.49
CTSL P07711 1/20 0.49
REN P00797 4/20 0.48
HDAC8 Q9BY41 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
SCHEMBL4650306 0.93 PTPN1 (0.51) PTPN1PTPN22ACECTSSCTSK
SCHEMBL7672421 0.92 PTPN1 (0.58) PTPN1PTPN22CTSSCTSKCTSB
SCHEMBL7680157 0.91 PTPN1 (0.56) PTPN1PTPN22ACECTSSCTSK
SCHEMBL4650261 0.87 PTPN1 (0.51) PTPN1PTPN22ACECTSSCTSK
SCHEMBL7117053 0.86 PTPN1 (0.52) PTPN1PTPN22CTSSCTSKCTSB
SCHEMBL6571372 0.83 PTPN1 (0.88) PTPN1PTPN22
SCHEMBL4650405 0.82 PTPN1 (0.53) PTPN1PTPN22CTSSCTSKCTSB
Methoxymethane SCHEMBL11521996 0.81 ACE (0.69) ACECTSSCTSKCTSBCTSL
SCHEMBL2367371 0.81 ACE (0.72) ACECTSSCTSKCTSBCTSL
SCHEMBL21219305 0.81 ACE (0.72) ACECTSSCTSKCTSBCTSL

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