SCHEMBL211469

SCHEMBL211469

CC(=O)N(NCc1ccccc1Cl)C(CCCCOP(=O)(O)O)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.35
NOTUM Q6P988 1/20 0.34
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
MAPT P10636 1/20 0.32
MTOR P42345 1/20 0.31
LMNA P02545 1/20 0.31
ABL1 P00519 4/20 0.31
GCK P35557 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
CSNK1D P48730 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
DYRK1A Q13627 2/20 0.30
GSK3B P49841 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
SCHEMBL211467 1.00 CTSK (0.35) CTSKNOTUMBCHEACHEMAPT
SCHEMBL212892 0.92 CTSK (0.33) CTSKNOTUM
SCHEMBL212894 0.92 CTSK (0.33) CTSKNOTUM
SCHEMBL210810 0.90 PIN1 (0.38) CTSKNOTUMDYRK1AGSK3B
SCHEMBL210809 0.90 PIN1 (0.38) CTSKNOTUMDYRK1AGSK3B
SCHEMBL211766 0.90 PIN1 (0.38) CTSKNOTUMDYRK1AGSK3B
SCHEMBL211222 0.89 CTSK (0.33) CTSKNOTUM
SCHEMBL211220 0.89 CTSK (0.33) CTSKNOTUM
SCHEMBL4353508 0.88 CTSK (0.37) CTSKNOTUMMAPTABL1NPC1
SCHEMBL209767 0.88 CTSK (0.36) CTSKNOTUMBCHEACHEMAPT

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 4 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-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 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 (1 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-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885NOTUM 2164/4885BCHE 994/4885

“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.