SCHEMBL210838

SCHEMBL210838

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.33
CTSK P43235 1/20 0.33
P2RX4 Q99571 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
NOTUM Q6P988 1/20 0.31
QPCT Q16769 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
ACKR3 P25106 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
SCHEMBL211927 0.96 P2RX4 (0.33) EPHX2CTSKP2RX4NOTUM
SCHEMBL3952684 0.94 EPHX2 (0.32) EPHX2PPARGPPARA
SCHEMBL2841702 0.94 EPHX2 (0.32) EPHX2PPARGPPARA
SCHEMBL2837660 0.91 P2RX4 (0.33) CTSKP2RX4NOTUM
SCHEMBL212517 0.90 CTSK (0.33) CTSKP2RX4NOTUM
SCHEMBL210708 0.90 CTSK (0.33) CTSKP2RX4NOTUMQPCT
SCHEMBL209951 0.90 CTSK (0.33) CTSKP2RX4NOTUM
SCHEMBL210728 0.90 CTSK (0.33) EPHX2CTSKP2RX4NOTUMQPCT
SCHEMBL210672 0.90 MAPT (0.32) CTSKP2RX4NOTUM
SCHEMBL211367 0.89 ANO1 (0.32) CTSKP2RX4NOTUM

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 9 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
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 EPHX2 2051/4885CTSK 1455/4885P2RX4 1405/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 EPHX2 2051/4885CTSK 1455/4885P2RX4 1405/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 EPHX2 2051/4885CTSK 1455/4885P2RX4 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.