SCHEMBL9606657

SCHEMBL9606657

CC[C@H](COC[C@@H]1COC(C)(C)O1)NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.38
HCRTR2 O43614 1/20 0.36
CTSK P43235 3/20 0.33
CTSS P25774 2/20 0.33
SYK P43405 1/20 0.33
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
F10 P00742 1/20 0.31
AAK1 Q2M2I8 2/20 0.31
KLK7 P49862 1/20 0.31
KLK5 Q9Y337 1/20 0.31
CACNA1B Q00975 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
SCHEMBL13942954 0.88 PLA2G2C (0.37) CA2HCRTR2CTSKCTSSCACNA1B
SCHEMBL212186 0.83 PPARA (0.49) CTSSSYKKLK7KLK5
SCHEMBL2727081 0.83 PPARA (0.49) CTSSSYKKLK7KLK5
SCHEMBL14718553 0.78 HCRTR2 (0.39) CA2HCRTR2F10
SCHEMBL9606659 0.76 CA2 (0.37) CA2
SCHEMBL13903965 0.75 CA2 (0.48) CA2HCRTR2CTSKCA1
SCHEMBL21251585 0.74 HCRTR2 (0.42) CA2HCRTR2CA1
SCHEMBL29342920 0.74 CTSS (0.34) CA2HCRTR2CTSKCTSSCA1
SCHEMBL15195657 0.73 TDP1 (0.46) CA2HCRTR2CA1
SCHEMBL3009671 0.73 TDP1 (0.46) CA2HCRTR2CA1

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 CA2 81/4885HCRTR2 3149/4885CTSK 1455/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CA2 81/4885HCRTR2 3149/4885CTSK 1455/4885

“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.