SCHEMBL5842848

SCHEMBL5842848

CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NCC1OCCc2c1sc(NC(=O)C(=O)O)c2C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.44
PTPN2 P17706 4/20 0.44
PTPRB P23467 3/20 0.44
ITGB1 P05556 4/20 0.39
ITGA4 P13612 4/20 0.39
GRIA1 P42261 1/20 0.38
PTPRC P08575 2/20 0.36
PTPRE P23469 2/20 0.36
ACE P12821 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
TGM2 P21980 1/20 0.34
PTPN6 P29350 1/20 0.34

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
SCHEMBL5837721 1.00 PTPN1 (0.44) PTPN1PTPN2PTPRBITGB1ITGA4
SCHEMBL7535354 0.86 ITGA4 (0.40) ITGB1ITGA4GRIA1ACECTSS
SCHEMBL5838437 0.84 CTSS (0.38) PTPN1PTPN2PTPRBITGB1ITGA4
SCHEMBL5837778 0.82 PTPN1 (0.52) PTPN1PTPN2PTPRBPTPRCPTPRE
SCHEMBL5838595 0.78 CTSS (0.41) ITGB1ITGA4GRIA1CTSSCTSK
SCHEMBL5841058 0.78 CTSS (0.41) ITGB1ITGA4GRIA1CTSSCTSK
SCHEMBL7119946 0.74 PTPN1 (0.42) PTPN1PTPN2PTPRBPTPRCPTPRE
SCHEMBL5837241 0.74 PTPN1 (0.46) PTPN1PTPN2PTPRBPTPRCPTPRE
SCHEMBL5837760 0.71 PTPN1 (0.47) PTPN1PTPN2PTPRB
SCHEMBL7539431 0.69 PTPN2 (0.39) PTPN1PTPN2PTPRB

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-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