SCHEMBL644938

SCHEMBL644938

C=CC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.51
CTSS P25774 2/20 0.51
CA2 P00918 2/20 0.47
CA1 P00915 1/20 0.47
CA7 P43166 1/20 0.47
PREP P48147 1/20 0.45
TRPA1 O75762 2/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CYP2D6 P10635 1/20 0.43
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
PSENEN Q9NZ42 1/20 0.38

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
SCHEMBL1680127 1.00 CTSK (0.51) CTSKCTSSCA2CA1CA7
SCHEMBL21509308 0.85 CTSK (0.50) CTSKCTSSCA2CA1CA7
SCHEMBL16492883 0.82 CA1 (0.46) CTSKCTSSCA2CA1CA7
SCHEMBL15106479 0.80 CTSK (0.49) CTSKCTSSCA2CA1CA7
SCHEMBL15119372 0.80 CTSK (0.49) CTSKCTSSCA2CA1CA7
SCHEMBL16359159 0.80 CTSK (0.46) CTSKCTSSCA2CA1CA7
SCHEMBL7121346 0.79 CTSK (0.48) CTSKCTSSCA2CA1CA7
SCHEMBL31402214 0.79 CTSK (0.48) CTSKCTSSCA2CA1CA7
SCHEMBL7121352 0.79 CTSK (0.48) CTSKCTSSCA2CA1CA7
SCHEMBL13947892 0.79 CTSK (0.58) CTSKCTSSCA2CA1CA7

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633236-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2014-01-21 US disclosed
US-8633236-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2014-01-21 US disclosed
US-8633236-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2014-01-21 US disclosed
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS MCDONALD ANDREW (US) 2013-02-28 US disclosed
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS MCDONALD ANDREW (US) 2013-02-28 US disclosed
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS MCDONALD ANDREW (US) 2013-02-28 US disclosed
US-8329928-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2012-12-11 US disclosed
US-8329928-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2012-12-11 US disclosed
US-8329928-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2012-12-11 US disclosed
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS MCDONALD ANDREW (US) 2012-08-16 US disclosed
EP-1511734-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-05-10 EP disclosed
US-20060020008-A1 Treating cell proliferation disorder, anticancer agents CYTOKINETICS, INC. 2006-01-26 US disclosed
US-20060004073-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2006-01-05 US disclosed
US-6949538-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2005-09-27 US disclosed
US-6924376-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2005-08-02 US disclosed
US-20050165089-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2005-07-28 US disclosed
EP-1511734-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-03-09 EP disclosed
US-20040116400-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2004-06-17 US disclosed
US-20040082638-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2004-04-29 US disclosed
WO-2003088903-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-10-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060020008-A1 Treating cell proliferation disorder, anticancer agents MKI67, PCNA, TK1 CTSK 1412/4885CTSS 1743/4885CA2 4050/4885
US-20050165089-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 CTSK 1326/4885CTSS 1434/4885CA2 2768/4885
US-20040082638-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 CTSK 1326/4885CTSS 1434/4885CA2 2768/4885
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 CTSK 1326/4885CTSS 1434/4885CA2 2768/4885
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 CTSK 1326/4885CTSS 1434/4885CA2 2768/4885
US-20060004073-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 CTSK 1172/4885CTSS 1307/4885CA2 3053/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.