SCHEMBL213670

SCHEMBL213670

CC(=O)N(NCc1cccc(Cl)c1F)[C@@H](CCCC(=O)O)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.35
FFAR4 Q5NUL3 1/20 0.33
NOTUM Q6P988 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ABL1 P00519 3/20 0.31
GCG P01275 1/20 0.31
GCK P35557 2/20 0.30
CD38 P28907 1/20 0.30
AURKA O14965 1/20 0.30
AURKB Q96GD4 1/20 0.30
EGFR P00533 3/20 0.30
SGMS2 Q8NHU3 1/20 0.30

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
SCHEMBL211861 0.93 CTSK (0.34) CTSKNOTUMABL1CD38EGFR
SCHEMBL212341 0.93 CTSK (0.37) CTSKNOTUMCYSLTR2CYSLTR1KDM4E
SCHEMBL212192 0.93 CTSK (0.36) CTSKFFAR4NOTUMCYSLTR2CYSLTR1
SCHEMBL214678 0.93 CTSK (0.36) CTSKFFAR4NOTUMCYSLTR2CYSLTR1
SCHEMBL214202 0.93 CTSK (0.36) CTSKNOTUMCYSLTR2CYSLTR1KDM4E
SCHEMBL213060 0.91 CTSK (0.35) CTSKNOTUMCYSLTR2CYSLTR1KDM4E
SCHEMBL211892 0.90 CTSK (0.35) CTSKNOTUMKDM4EALDH1A1ABL1
SCHEMBL212590 0.89 CTSK (0.36) CTSKNOTUMKDM4EALDH1A1ABL1
SCHEMBL212477 0.88 CTSK (0.35) CTSKNOTUMCYSLTR2CYSLTR1KDM4E
SCHEMBL213671 0.87 CTSK (0.36) CTSKFFAR4NOTUMKDM4EALDH1A1

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-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US claimed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US claimed
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 1455/4885FFAR4 3243/4885NOTUM 2164/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885FFAR4 3243/4885NOTUM 2164/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885FFAR4 3243/4885NOTUM 2164/4885

“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.