SCHEMBL5841311

SCHEMBL5841311

CC(=O)N[C@@H](C(=O)NCC1OCCc2c1sc(N)c2C(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CXCR2 P25025 2/20 0.31
ATM Q13315 1/20 0.31
ADORA1 P30542 1/20 0.31
CA2 P00918 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL5838379 1.00 CTSS (0.32) CTSSCTSKPOLBMEN1KMT2A
SCHEMBL6317021 0.87 ADORA1 (0.35) POLBMEN1KMT2ACXCR2ADORA1
SCHEMBL5837100 0.86 CXCR2 (0.36) CTSSCTSKPOLBCXCR2ALDH1A1
SCHEMBL5837074 0.78 ADORA1 (0.49) CTSSCTSKMEN1KMT2AATM
SCHEMBL5841346 0.78 CXCR2 (0.30) CXCR2
SCHEMBL5838672 0.78 ADORA1 (0.38) POLBMEN1KMT2ACXCR2ADORA1
SCHEMBL5838350 0.78 ADORA1 (0.38) POLBMEN1KMT2ACXCR2ADORA1
SCHEMBL5837645 0.78 ADORA1 (0.34) POLBMEN1KMT2AADORA1ALDH1A1
SCHEMBL5837519 0.75 PTPN1 (0.45) POLB
SCHEMBL5842479 0.75 PTPN1 (0.45) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7019026-B1 Modulators of Protein Tyrosine Phosphatases (PTPases) NOVO NORDISK A/S (DK) 2006-03-28 US disclosed
EP-1214325-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2005-11-09 EP disclosed
EP-1214325-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
WO-2001019831-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO disclosed