SCHEMBL213445

SCHEMBL213445

CC(C)(C)OC(=O)NC(CCCO)CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 2/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CTSK P43235 9/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
CTSS P25774 2/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL213446 1.00 TDP1 (0.40) TDP1KMT2ACA1CA2CA7
SCHEMBL13405159 0.96 TDP1 (0.42) TDP1KMT2ACA1CA2CA7
SCHEMBL1861342 0.86 CA1 (0.40) TDP1KMT2ACA1CA2CA7
SCHEMBL3227264 0.86 CA1 (0.40) TDP1KMT2ACA1CA2CA7
SCHEMBL1861340 0.86 CA1 (0.40) TDP1KMT2ACA1CA2CA7
SCHEMBL30732569 0.86 TDP1 (0.38) TDP1KMT2ACA1CA2CA7
SCHEMBL13405157 0.86 MEN1 (0.48) TDP1KMT2ACA1CA2MEN1
SCHEMBL212600 0.86 CA2 (0.37) KMT2ACA1CA2CA7CTSK
SCHEMBL2727027 0.86 CA2 (0.37) KMT2ACA1CA2CA7CTSK
SCHEMBL212599 0.86 CA2 (0.37) KMT2ACA1CA2CA7CTSK

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 6 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-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 TDP1 1077/4885KMT2A 2418/4885CA1 1965/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 TDP1 1077/4885KMT2A 2418/4885CA1 1965/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 TDP1 1077/4885KMT2A 2418/4885CA1 1965/4885

“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.