SCHEMBL9606811

SCHEMBL9606811

CN(C(=O)OC(C)(C)C)[C@H](CO)CCCC(F)F

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CTSK P43235 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
SCHEMBL19390307 0.82 HDAC6 (0.36) CA14HDAC1HDAC2HDAC6
SCHEMBL22502780 0.80 AAK1 (0.34) CA14HDAC1HDAC2HDAC6
SCHEMBL213545 0.79 CA14 (0.40) CA14HDAC1HDAC2HDAC6
SCHEMBL213546 0.79 CA14 (0.40) CA14HDAC1HDAC2HDAC6
SCHEMBL25467829 0.79 HDAC6 (0.33) CA14HDAC1HDAC2HDAC6
SCHEMBL9644443 0.78 HDAC6 (0.33) CA14HDAC1HDAC2HDAC6
SCHEMBL211127 0.78 CA14 (0.34) CA14
SCHEMBL211126 0.78 CA14 (0.34) CA14
SCHEMBL17571449 0.77 HDAC6 (0.33) CA14HDAC1HDAC2HDAC6CTSK
SCHEMBL8861989 0.76 CA12 (0.41) CA14HDAC1HDAC2HDAC6

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
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

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

For each of this compound's patents that has machine-readable text (2 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-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CA14 1193/4885HDAC1 1823/4885HDAC2 1722/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CA14 1193/4885HDAC1 1823/4885HDAC2 1722/4885

“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.