SCHEMBL213546

SCHEMBL213546

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.40
CA12 O43570 2/20 0.40
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
TSHR P16473 3/20 0.39
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GAA P10253 1/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CNR1 P21554 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
REN P00797 1/20 0.30
RECQL P46063 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
SCHEMBL213545 1.00 CA14 (0.40) CA14CA12CA2CA1TSHR
SCHEMBL8861989 0.91 CA12 (0.41) CA14CA12CA2CA1TSHR
SCHEMBL211642 0.81 CA12 (0.35) CA14CA12CA2CA1TSHR
SCHEMBL211643 0.81 CA12 (0.35) CA14CA12CA2CA1TSHR
SCHEMBL9606811 0.79 CA14 (0.32) CA14HDAC1HDAC2HDAC6
SCHEMBL19390307 0.79 HDAC6 (0.36) CA14CA2CA1KMT2AMEN1
SCHEMBL9644443 0.79 HDAC6 (0.33) CA14CA12CA2CA1TSHR
SCHEMBL22502780 0.77 AAK1 (0.34) CA14CA12CA2CA1HDAC1
SCHEMBL30154209 0.75 CNR1 (0.43) HDAC1HDAC2HDAC6CNR1AAK1
SCHEMBL30153890 0.75 CNR1 (0.43) HDAC1HDAC2HDAC6CNR1AAK1

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
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
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
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 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 (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 CA14 1193/4885CA12 935/4885CA2 81/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CA14 1193/4885CA12 935/4885CA2 81/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CA14 1193/4885CA12 935/4885CA2 81/4885

“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.