SCHEMBL212477

SCHEMBL212477

CC(=O)N(NCc1cccc(F)c1F)[C@@H](CCC(=O)O)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.35
NOTUM Q6P988 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GCG P01275 1/20 0.32
ABL1 P00519 5/20 0.32
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
PIN1 Q13526 1/20 0.31
GCK P35557 2/20 0.31
DYRK1A Q13627 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
NTRK1 P04629 1/20 0.30
LMNA P02545 1/20 0.30
MTOR P42345 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
MET P08581 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
SCHEMBL212192 0.95 CTSK (0.36) CTSKNOTUMALDH1A1KDM4EGCG
SCHEMBL214678 0.95 CTSK (0.36) CTSKNOTUMALDH1A1KDM4EGCG
SCHEMBL211680 0.93 ABL1 (0.34) ABL1CYSLTR2CYSLTR1DYRK1AMET
SCHEMBL211156 0.93 CTSK (0.34) CTSKNOTUMALDH1A1KDM4EABL1
SCHEMBL210223 0.92 CTSK (0.34) CTSKNOTUMALDH1A1KDM4EGCG
SCHEMBL4347816 0.92 CTSK (0.36) CTSKNOTUMALDH1A1ABL1PIN1
SCHEMBL4348546 0.92 CTSK (0.36) CTSKNOTUMALDH1A1ABL1PIN1
SCHEMBL211768 0.91 CTSK (0.33) CTSKNOTUM
SCHEMBL211083 0.90 CTSK (0.35) CTSKNOTUMALDH1A1KDM4EABL1
SCHEMBL211133 0.90 CTSK (0.35) CTSKNOTUMALDH1A1KDM4EABL1

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 11 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-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 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
EP-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 WO 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 1455/4885NOTUM 2164/4885ALDH1A1 1710/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885NOTUM 2164/4885ALDH1A1 1710/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885NOTUM 2164/4885ALDH1A1 1710/4885

“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.