SCHEMBL2104826

SCHEMBL2104826

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CTSK P43235 10/20 0.42
CTSS P25774 6/20 0.40
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36

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 0.86 CA1 (0.63) CA1CA2CA7CTSKCTSS
SCHEMBL24691446 0.86 CA1 (0.63) CA1CA2CA7CTSKCTSS
SCHEMBL1414299 0.86 CA1 (0.63) CA1CA2CA7CTSKCTSS
SCHEMBL16970607 0.84 CA1 (0.53) CA1CA2CA7CTSKCTSS
SCHEMBL2104060 0.83 CA1 (0.51) CA1CA2CA7CTSKCTSS
SCHEMBL2987820 0.81 CA1 (0.53) CA1CA2CA7CTSKCTSS
SCHEMBL25269854 0.81 CA1 (0.49) CA1CA2CA7CTSKCTSS
SCHEMBL385451 0.81 CA1 (0.53) CA1CA2CA7CTSKCTSS
SCHEMBL25269853 0.81 CA1 (0.49) CA1CA2CA7CTSKCTSS
SCHEMBL9753575 0.81 CA1 (0.44) CA1CA2CA7CTSKCTSS

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.