SCHEMBL212413

SCHEMBL212413

[CH2]C(C)(C)C[C@@H](CO)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MMP13 P45452 1/20 0.30
AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL16281193 0.86 HDAC6 (0.33) HDAC1HDAC2HDAC6MMP13AAK1
SCHEMBL19390307 0.86 HDAC6 (0.36) HDAC1HDAC2HDAC6MMP13AAK1
SCHEMBL2758645 0.83 HDAC1 (0.31) HDAC1HDAC2HDAC6MMP13AAK1
SCHEMBL17571449 0.81 HDAC6 (0.33) HDAC1HDAC2HDAC6MMP13AAK1
SCHEMBL25467829 0.79 HDAC6 (0.33) HDAC1HDAC2HDAC6MMP13AAK1
SCHEMBL30154209 0.78 CNR1 (0.43) HDAC1HDAC2HDAC6MMP13AAK1
SCHEMBL18248093 0.78 AAK1 (0.40) HDAC1HDAC2HDAC6MMP13AAK1
SCHEMBL8196748 0.78 AAK1 (0.40) HDAC1HDAC2HDAC6MMP13AAK1
SCHEMBL30153890 0.78 CNR1 (0.43) HDAC1HDAC2HDAC6MMP13AAK1
SCHEMBL24323568 0.78 AAK1 (0.40) HDAC1HDAC2HDAC6MMP13AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
EP-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 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 (3 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 HDAC1 1823/4885HDAC2 1722/4885HDAC6 244/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 HDAC1 1823/4885HDAC2 1722/4885HDAC6 244/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 HDAC1 1823/4885HDAC2 1722/4885HDAC6 244/4885

“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.