SCHEMBL210223

SCHEMBL210223

CC(=O)N(NCc1cccc(F)c1Cl)[C@@H](CCC(=O)O)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.34
PTGFR P43088 6/20 0.33
P2RX4 Q99571 1/20 0.33
NOTUM Q6P988 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GCG P01275 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
ABL1 P00519 2/20 0.31
MAPT P10636 1/20 0.31
ANO1 Q5XXA6 1/20 0.31
CYP3A4 P08684 1/20 0.31
PTGER1 P34995 1/20 0.30
GCK P35557 1/20 0.30
CTSA P10619 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
SCHEMBL213060 0.95 CTSK (0.35) CTSKPTGFRP2RX4NOTUMALDH1A1
SCHEMBL212529 0.93 ABL1 (0.33) P2RX4ABL1
SCHEMBL209966 0.93 CTSK (0.34) CTSKP2RX4NOTUMALDH1A1KDM4E
SCHEMBL212477 0.92 CTSK (0.35) CTSKNOTUMALDH1A1KDM4EGCG
SCHEMBL212117 0.92 CTSK (0.35) CTSKP2RX4NOTUMALDH1A1TDP1
SCHEMBL2840212 0.92 P2RX4 (0.33) CTSKPTGFRP2RX4NOTUMALDH1A1
SCHEMBL2867935 0.91 P2RX4 (0.35) CTSKP2RX4NOTUMALDH1A1KDM4E
SCHEMBL2837660 0.91 P2RX4 (0.33) CTSKP2RX4NOTUMALDH1A1MAPT
SCHEMBL210546 0.90 CTSK (0.34) CTSKP2RX4NOTUMALDH1A1TDP1
SCHEMBL212607 0.90 CTSK (0.35) CTSKP2RX4NOTUMALDH1A1TDP1

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 1455/4885PTGFR 1333/4885P2RX4 1405/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885PTGFR 1333/4885P2RX4 1405/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885PTGFR 1333/4885P2RX4 1405/4885

“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.