SCHEMBL5893907

SCHEMBL5893907

CCCCCNC(=O)[C@H](Cc1ccc(N2CC(=O)N(Cc3ccccc3)S2(=O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.55
PTPRA P18433 1/20 0.51
AKT1 P31749 1/20 0.50
CTSS P25774 3/20 0.47
CTSK P43235 2/20 0.47
CTSL P07711 2/20 0.47
CTSB P07858 1/20 0.47
PSMB8 P28062 1/20 0.42
PSMB9 P28065 1/20 0.42
PSMB5 P28074 1/20 0.42

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
SCHEMBL5893307 0.98 PTPN1 (0.53) PTPN1PTPRAAKT1CTSSCTSK
SCHEMBL6925818 0.91 PTPN1 (0.47) PTPN1PTPRAAKT1
SCHEMBL1731192 0.91 PTPN1 (0.47) PTPN1PTPRAAKT1
SCHEMBL1732762 0.87 PTPN1 (0.54) PTPN1PTPRA
SCHEMBL1732761 0.87 PTPN1 (0.54) PTPN1PTPRA
SCHEMBL1732320 0.86 PTPN1 (0.47) PTPN1PTPRAAKT1CTSSCTSK
SCHEMBL6282167 0.85 PTPN1 (0.62) PTPN1CTSL
SCHEMBL5893349 0.85 PTPN1 (0.57) PTPN1PTPRAAKT1CTSSCTSK
SCHEMBL6141344 0.82 PTPN1 (0.48) PTPN1PTPRACTSSCTSL
SCHEMBL1732436 0.81 PTPN1 (0.53) PTPN1PTPRA

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
US-7141596-B2 Inhibitors of proteins that bind phosphorylated molecules INCYTE CORPORATION (US) 2006-11-28 US disclosed
WO-2005035551-A2 INHIBITORS OF PROTEINS THAT BIND PHOSPHORYLATED MOLECULES INCYTE CORPORATION (US) 2005-04-21 WO disclosed