SCHEMBL7743679

SCHEMBL7743679

CCOC(=O)C1Cc2ccc(OS(=O)(=O)C(F)(F)F)cc2CN1C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.54
HDAC8 Q9BY41 15/20 0.49
PDE4B Q07343 1/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL7743681 1.00 PTPN1 (0.54) PTPN1HDAC8PDE4BPDE4D
SCHEMBL2083269 0.96 PTPN1 (0.50) PTPN1HDAC8PDE4BPDE4D
SCHEMBL5126474 0.89 PTPN1 (0.67) PTPN1HDAC8
SCHEMBL7746008 0.82 PTPN1 (0.56) PTPN1HDAC8
SCHEMBL7746006 0.82 PTPN1 (0.56) PTPN1HDAC8
SCHEMBL18435172 0.82 PTPN1 (0.47) PTPN1HDAC8
SCHEMBL7743525 0.81 HDAC8 (0.54) PTPN1HDAC8
SCHEMBL7743528 0.81 HDAC8 (0.54) PTPN1HDAC8
SCHEMBL4480030 0.80 NR1D1 (0.61) PTPN1HDAC8
SCHEMBL6650752 0.80 NR1D1 (0.61) PTPN1HDAC8

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
EP-1045843-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-10-24 EP disclosed
EP-1045843-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP disclosed
US-5977134-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-11-02 US disclosed
WO-1999028313-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO disclosed