SCHEMBL2104060

SCHEMBL2104060

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA7 P43166 2/20 0.51
CTSK P43235 9/20 0.43
CYP2D6 P10635 1/20 0.43
CTSS P25774 5/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
KLK5 Q9Y337 2/20 0.38
CA4 P22748 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL1414128 0.87 CA1 (0.63) CA1CA2CA7CTSKCYP2D6
SCHEMBL24691446 0.87 CA1 (0.63) CA1CA2CA7CTSKCYP2D6
SCHEMBL1414299 0.87 CA1 (0.63) CA1CA2CA7CTSKCYP2D6
SCHEMBL2987820 0.86 CA1 (0.53) CA1CA2CA7CTSKCYP2D6
SCHEMBL385451 0.86 CA1 (0.53) CA1CA2CA7CTSKCYP2D6
SCHEMBL168390 0.84 CA1 (0.54) CA1CA2CA7CTSKCYP2D6
SCHEMBL2104826 0.83 CA1 (0.50) CA1CA2CA7CTSKCYP2D6
SCHEMBL25269853 0.83 CA1 (0.49) CA1CA2CA7CTSKCYP2D6
SCHEMBL25269854 0.83 CA1 (0.49) CA1CA2CA7CTSKCYP2D6
SCHEMBL7119554 0.80 CA1 (0.49) CA1CA2CA7CTSKCYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163919-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-04-24 US disclosed
US-20100069453-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2010-03-18 US disclosed
US-20060247289-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2006-11-02 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-20100069453-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 CA1 3116/4885CA2 2238/4885CA7 3394/4885
US-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CA1 3116/4885CA2 2238/4885CA7 3394/4885

“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.