SCHEMBL211828

SCHEMBL211828

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.37
CTSS P25774 9/20 0.37
ATM Q13315 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
PPARA Q07869 2/20 0.34
AAK1 Q2M2I8 1/20 0.34
PPARG P37231 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
SCHEMBL211829 1.00 CTSK (0.37) CTSKCTSSATMCA1CA2
SCHEMBL11046027 0.88 CTSK (0.36) CTSKCTSSATMCA1CA2
SCHEMBL211029 0.84 CA1 (0.36) CTSKCTSSATMCA1CA2
SCHEMBL211028 0.84 CA1 (0.36) CTSKCTSSATMCA1CA2
SCHEMBL7346754 0.83 CA1 (0.38) CTSKCTSSATMCA1CA2
SCHEMBL4520424 0.83 CA1 (0.38) CTSKCTSSATMCA1CA2
SCHEMBL1262397 0.83 CA1 (0.38) CTSKCTSSATMCA1CA2
SCHEMBL3227264 0.83 CA1 (0.40) CTSKCTSSATMCA1CA2
SCHEMBL1861342 0.83 CA1 (0.40) CTSKCTSSATMCA1CA2
SCHEMBL1861340 0.83 CA1 (0.40) CTSKCTSSATMCA1CA2

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
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 CTSK 1455/4885CTSS 1668/4885ATM 3212/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885CTSS 1668/4885ATM 3212/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885CTSS 1668/4885ATM 3212/4885

“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.