SCHEMBL5837610

SCHEMBL5837610

COc1cccc2c1C(=O)N(C(=O)C1Cc3c(sc(N)c3C(=O)OC(C)(C)C)CO1)C2

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GRM6 O15303 1/20 0.33
CXCR2 P25025 2/20 0.33
ADORA1 P30542 3/20 0.33
AADAT Q8N5Z0 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL5838694 0.90 GRM6 (0.33) MAPTKDM4EGRM6CXCR2ADORA1
SCHEMBL5838665 0.87 ADORA1 (0.33) MAPTKDM4EGRM6ADORA1
SCHEMBL5838246 0.87 CXCR2 (0.39) MAPTCXCR2ALDH1A1
SCHEMBL5838372 0.86 GRM6 (0.37) MAPTKDM4EGRM6CXCR2ADORA1
SCHEMBL6316682 0.81 GRM6 (0.40) MAPTKDM4EGRM6CXCR2ADORA1
SCHEMBL6316465 0.80 KDM4E (0.34) MAPTKDM4EGRM6ADORA1ALDH1A1
SCHEMBL5837781 0.78 GABRA1 (0.37) MAPTKDM4EADORA1
SCHEMBL5838623 0.77 CXCR2 (0.38) MAPTCXCR2ALDH1A1
SCHEMBL6316776 0.77 ADORA1 (0.36) MAPTKDM4EADORA1ALDH1A1GAA
SCHEMBL5838591 0.77 ALDH1A1 (0.38) MAPTCXCR2ALDH1A1

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-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