SCHEMBL6610093

SCHEMBL6610093

[CH2]CC(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.50
CTSS P25774 6/20 0.50
PPARA Q07869 7/20 0.48
PPARG P37231 6/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
ACE P12821 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
PPARD Q03181 2/20 0.46
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
IDO1 P14902 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 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
SCHEMBL4634764 0.86 CTSK (0.49) CTSKCTSSPPARAPPARGCTSL
SCHEMBL6610942 0.85 CYP1A2 (0.47) CTSKCTSSCTSLCTSBCA1
SCHEMBL2541324 0.84 PPARA (0.57) CTSKCTSSPPARAPPARGCTSL
SCHEMBL432222 0.84 PPARA (0.57) CTSKCTSSPPARAPPARGCTSL
SCHEMBL316084 0.84 PPARA (0.57) CTSKCTSSPPARAPPARGCTSL
SCHEMBL7881943 0.84 CTSK (0.45) CTSKCTSSCTSLCTSBCA1
SCHEMBL5351802 0.84 PPARA (0.57) CTSKCTSSPPARAPPARGCTSL
SCHEMBL13489723 0.84 PPARA (0.57) CTSKCTSSPPARAPPARGCTSL
SCHEMBL1951491 0.83 CTSK (0.64) CTSKCTSSPPARAPPARGCTSL
SCHEMBL318796 0.83 CTSK (0.64) CTSKCTSSPPARAPPARGCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP claimed
WO-2003018019-A2 NEW USE OF CYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 WO claimed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP claimed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 WO claimed
EP-2776407-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2014-09-17 EP disclosed
WO-2013070657-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2013-05-16 WO disclosed
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP disclosed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 WO disclosed