SCHEMBL211798

SCHEMBL211798

COC(=O)CCCC(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.51
CTSS P25774 5/20 0.49
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
ACE P12821 1/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
PPARA Q07869 3/20 0.42
PPARG P37231 2/20 0.42
CAPN1 P07384 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42

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
SCHEMBL211797 1.00 CTSK (0.51) CTSKCTSSMEN1GAAKMT2A
SCHEMBL2726974 1.00 CTSK (0.51) CTSKCTSSMEN1GAAKMT2A
SCHEMBL23371614 0.95 CTSK (0.50) CTSKCTSSMEN1GAAKMT2A
SCHEMBL2897815 0.94 CTSK (0.49) CTSKCTSSMEN1GAAKMT2A
SCHEMBL12294548 0.94 CTSK (0.49) CTSKCTSSMEN1GAAKMT2A
SCHEMBL17600320 0.92 CTSK (0.52) CTSKCTSSMEN1GAAKMT2A
SCHEMBL17600321 0.92 CTSK (0.52) CTSKCTSSMEN1GAAKMT2A
SCHEMBL6337223 0.91 PPARA (0.47) CTSKCTSSMEN1GAAKMT2A
SCHEMBL2323692 0.91 PPARA (0.47) CTSKCTSSMEN1GAAKMT2A
SCHEMBL384624 0.91 PPARA (0.47) CTSKCTSSMEN1GAAKMT2A

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 CTSK 1455/4885CTSS 1668/4885MEN1 665/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885CTSS 1668/4885MEN1 665/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885CTSS 1668/4885MEN1 665/4885

“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.