SCHEMBL5838595

SCHEMBL5838595

CC(=O)NC(Cc1ccc(O)cc1)C(=O)NCC1OCCc2c1sc(N)c2C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.41
CTSK P43235 4/20 0.41
GRIA1 P42261 2/20 0.39
ITGB1 P05556 4/20 0.36
ITGA4 P13612 4/20 0.36
ADORA1 P30542 1/20 0.36
TGM2 P21980 1/20 0.35
OPRK1 P41145 1/20 0.34
LY96 Q9Y6Y9 1/20 0.33
NPY4R P50391 2/20 0.33

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
SCHEMBL5841058 1.00 CTSS (0.41) CTSSCTSKGRIA1ITGB1ITGA4
SCHEMBL5838437 0.88 CTSS (0.38) CTSSCTSKGRIA1ITGB1ITGA4
SCHEMBL5841164 0.87 ADORA1 (0.49) CTSSCTSKADORA1
SCHEMBL5837074 0.87 ADORA1 (0.49) CTSSCTSKADORA1
SCHEMBL5838379 0.82 CTSS (0.32) CTSSCTSKADORA1
SCHEMBL5841311 0.82 CTSS (0.32) CTSSCTSKADORA1
SCHEMBL6317021 0.81 ADORA1 (0.35) ADORA1
SCHEMBL5837721 0.78 PTPN1 (0.44) CTSSCTSKGRIA1ITGB1ITGA4
SCHEMBL5842848 0.78 PTPN1 (0.44) CTSSCTSKGRIA1ITGB1ITGA4
SCHEMBL5841350 0.78 ADORA1 (0.34) ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115624-B1 Method of inhibiting protein tyrosine phosphatase 1B and/or T-cell protein tyrosine phosphatase 4 and/or other PTPases with an Asp residue at position 48 NOVO NORDISK A/S (DK) 2006-10-03 US disclosed
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