SCHEMBL645461

SCHEMBL645461

COc1cccc(CCC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
CACNA1B Q00975 1/20 0.47
CTSK P43235 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
RAB9A P51151 1/20 0.45
CA2 P00918 1/20 0.44
THRB P10828 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
KLK5 Q9Y337 1/20 0.43
ACE P12821 1/20 0.43

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
SCHEMBL12735813 1.00 ALDH1A1 (0.49) ALDH1A1CACNA1BCTSKHDAC1HDAC6
SCHEMBL13309005 0.85 CTSK (0.51) CTSKCA2MEN1KMT2AKLK5
SCHEMBL10192143 0.85 CTSK (0.51) CTSKCA2MEN1KMT2AKLK5
SCHEMBL644957 0.83 TRPA1 (0.47) CTSKCA2KLK5ACE
SCHEMBL1680222 0.83 TRPA1 (0.47) CTSKCA2KLK5ACE
SCHEMBL3786569 0.79 HDAC1 (0.53) ALDH1A1HDAC1HDAC6RAB9AMTNR1A
SCHEMBL31407583 0.79 CACNA1B (0.52) ALDH1A1CACNA1BCTSKMTNR1AMTNR1B
SCHEMBL12305801 0.77 CTSK (0.55) CACNA1BCTSKACE
SCHEMBL8232553 0.77 CTSK (0.55) CACNA1BCTSKACE
SCHEMBL1295923 0.77 MTNR1A (0.50) ALDH1A1HDAC1HDAC6RAB9AMTNR1A

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 48 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
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-1539727-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-06-15 EP disclosed
WO-2005042697-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-05-12 WO 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-2004006865-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2004-01-22 WO 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 (4 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-20050165089-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 ALDH1A1 2715/4885CACNA1B 3851/4885CTSK 1326/4885
US-20040082638-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 ALDH1A1 2715/4885CACNA1B 3851/4885CTSK 1326/4885
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 ALDH1A1 2715/4885CACNA1B 3851/4885CTSK 1326/4885
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 ALDH1A1 2715/4885CACNA1B 3851/4885CTSK 1326/4885

“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.