SCHEMBL214266

SCHEMBL214266

COC(=O)CC[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.36
HTT P42858 3/20 0.35
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
CYP2D6 P10635 1/20 0.35
CTSS P25774 2/20 0.35
CTSL P07711 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
ATM Q13315 1/20 0.33
SYK P43405 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 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
SCHEMBL211091 1.00 CTSK (0.36) CTSKHTTCA2CA1CA7
SCHEMBL212600 0.92 CA2 (0.37) CTSKHTTCA2CA1CA7
SCHEMBL212599 0.92 CA2 (0.37) CTSKHTTCA2CA1CA7
SCHEMBL2727027 0.92 CA2 (0.37) CTSKHTTCA2CA1CA7
SCHEMBL9622085 0.85 CA1 (0.40) CTSKHTTCA2CA1CA7
SCHEMBL19522705 0.83 SYK (0.41) CTSKHTTCA2CA1CA7
SCHEMBL213446 0.83 TDP1 (0.40) CTSKCA2CA1CA7CYP2D6
SCHEMBL213445 0.83 TDP1 (0.40) CTSKCA2CA1CA7CYP2D6
SCHEMBL4388797 0.82 ATM (0.39) CTSKHTTCA2CA1CA7
SCHEMBL212822 0.82 TSHR (0.35) TSHR

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 10 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
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
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 CTSK 1455/4885HTT 1845/4885CA2 81/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885HTT 1845/4885CA2 81/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885HTT 1845/4885CA2 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.