SCHEMBL211887

SCHEMBL211887

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

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.32
ANO1 Q5XXA6 1/20 0.32
P2RX4 Q99571 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
ABL1 P00519 4/20 0.31
NOTUM Q6P988 1/20 0.31

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
SCHEMBL8510311 0.90 P2RX4 (0.34) CTSKANO1P2RX4TDP1ABL1
SCHEMBL210471 0.89 P2RX4 (0.34) CTSKANO1P2RX4TDP1ABL1
SCHEMBL211888 0.89 CTSK (0.32) CTSKANO1TDP1ABL1NOTUM
SCHEMBL212520 0.87 CTSK (0.34) CTSKP2RX4TDP1ABL1NOTUM
SCHEMBL212521 0.87 P2RX4 (0.32) CTSKP2RX4TDP1ABL1NOTUM
SCHEMBL2867935 0.86 P2RX4 (0.35) CTSKANO1P2RX4TDP1ABL1
SCHEMBL212117 0.86 CTSK (0.35) CTSKANO1P2RX4TDP1ABL1
SCHEMBL211367 0.86 ANO1 (0.32) CTSKANO1P2RX4NOTUM
SCHEMBL2840212 0.85 P2RX4 (0.33) CTSKANO1P2RX4TDP1ABL1
SCHEMBL211589 0.85 P2RX4 (0.33) CTSKANO1P2RX4TDP1ABL1

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 1455/4885ANO1 1073/4885P2RX4 1405/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885ANO1 1073/4885P2RX4 1405/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885ANO1 1073/4885P2RX4 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.