SCHEMBL213671

SCHEMBL213671

CN(C(=O)NCc1cccc(Cl)c1F)[C@@H](CCCC(=O)O)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.36
FFAR4 Q5NUL3 1/20 0.33
GCG P01275 1/20 0.32
NOTUM Q6P988 1/20 0.32
P2RX7 Q99572 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CFD P00746 5/20 0.31
ABL1 P00519 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.31
CASR P41180 1/20 0.30
CD38 P28907 1/20 0.30
GCK P35557 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
SCHEMBL2723943 0.93 CTSK (0.36) CTSKNOTUMP2RX7KDM4EALDH1A1
SCHEMBL212342 0.93 CTSK (0.39) CTSKGCGNOTUMKDM4EALDH1A1
SCHEMBL212193 0.93 CTSK (0.37) CTSKFFAR4GCGNOTUMP2RX7
SCHEMBL212363 0.93 CTSK (0.37) CTSKFFAR4GCGNOTUMP2RX7
SCHEMBL214203 0.93 CTSK (0.37) CTSKGCGNOTUMP2RX7KDM4E
SCHEMBL214679 0.93 CTSK (0.37) CTSKFFAR4GCGNOTUMP2RX7
SCHEMBL210840 0.92 CTSK (0.36) CTSKNOTUMP2RX7KDM4EALDH1A1
SCHEMBL213061 0.91 CTSK (0.36) CTSKGCGNOTUMP2RX7KDM4E
SCHEMBL211893 0.90 P2RX7 (0.38) CTSKNOTUMP2RX7
SCHEMBL212591 0.89 CTSK (0.38) CTSKGCGNOTUMKDM4EALDH1A1

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 1455/4885FFAR4 3243/4885GCG 4092/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885FFAR4 3243/4885GCG 4092/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885FFAR4 3243/4885GCG 4092/4885

“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.