Sugi Predict

Sugi Predict / Compounds / SCHEMBL212599

SCHEMBL212599

SCHEMBL212599

COC(=O)CCCC(CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CTSK P43235 8/20 0.36
▸ HTT P42858 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CTSS P25774 2/20 0.34
▸ CTSL P07711 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ ATM Q13315 1/20 0.32

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
SCHEMBL212600 1.00 CA2 (0.37) CA2CA1CA7CTSKHTT
SCHEMBL2727027 1.00 CA2 (0.37) CA2CA1CA7CTSKHTT
SCHEMBL211091 0.92 CTSK (0.36) CA2CA1CA7CTSKHTT
SCHEMBL214266 0.92 CTSK (0.36) CA2CA1CA7CTSKHTT
SCHEMBL13405158 0.86 CAPN1 (0.34) CA2CA1CA7CTSKCYP2D6
SCHEMBL213445 0.86 TDP1 (0.40) CA2CA1CA7CTSKCYP2D6
SCHEMBL213446 0.86 TDP1 (0.40) CA2CA1CA7CTSKCYP2D6
SCHEMBL13405159 0.85 TDP1 (0.42) CA2CA1CA7CTSKCTSS
SCHEMBL13405157 0.82 MEN1 (0.48) CA2CA1HTTKMT2AMEN1
SCHEMBL31028258 0.82 SYK (0.39) CA2CA1CA7CTSKCYP2D6

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 CA2 81/4885CA1 1965/4885CA7 460/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CA2 81/4885CA1 1965/4885CA7 460/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CA2 81/4885CA1 1965/4885CA7 460/4885

“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.