SCHEMBL211892

SCHEMBL211892

CC(=O)N(NCc1ccc(F)cc1Cl)[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
P2RX7 Q99572 8/20 0.34
NOTUM Q6P988 1/20 0.34
ABL1 P00519 3/20 0.33
BRD4 O60885 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALOX15 P16050 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL212782 0.93 CTSK (0.34) CTSKP2RX7NOTUMABL1BRD4
SCHEMBL212341 0.92 CTSK (0.37) CTSKNOTUMABL1HTTALDH1A1
SCHEMBL213670 0.90 CTSK (0.35) CTSKNOTUMABL1ALDH1A1KDM4E
SCHEMBL213060 0.88 CTSK (0.35) CTSKNOTUMABL1ALDH1A1KDM4E
SCHEMBL214202 0.88 CTSK (0.36) CTSKNOTUMABL1MEN1KMT2A
SCHEMBL212590 0.87 CTSK (0.36) CTSKNOTUMABL1ALDH1A1KDM4E
SCHEMBL211893 0.87 P2RX7 (0.38) CTSKP2RX7NOTUMBRD4HTT
SCHEMBL212192 0.87 CTSK (0.36) CTSKNOTUMABL1ALDH1A1KDM4E
SCHEMBL214678 0.87 CTSK (0.36) CTSKNOTUMABL1ALDH1A1KDM4E
SCHEMBL211462 0.85 CTSK (0.36) CTSKNOTUMABL1HTTALDH1A1

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 1455/4885P2RX7 1556/4885NOTUM 2164/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885P2RX7 1556/4885NOTUM 2164/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885P2RX7 1556/4885NOTUM 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.