SCHEMBL5565628

SCHEMBL5565628

CC(C)Oc1ccc(C(=O)O[C@H](CCO)Cc2ccc(-c3cn(C)c(C(C)(C)C)n3)cc2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.39
MAP4K4 O95819 1/20 0.38
MINK1 Q8N4C8 1/20 0.38
S1PR1 P21453 9/20 0.38
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
KMO O15229 2/20 0.35
KIFC1 Q9BW19 1/20 0.35
P2RX3 P56373 3/20 0.34
WDR5 P61964 1/20 0.34

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
SCHEMBL5565637 1.00 CENPE (0.39) CENPEMAP4K4MINK1S1PR1S1PR3
SCHEMBL5565634 0.89 GCGR (0.37) S1PR1P2RX3
SCHEMBL5565688 0.88 CENPE (0.52) CENPES1PR1S1PR3S1PR5
SCHEMBL5565695 0.88 CENPE (0.52) CENPES1PR1S1PR3S1PR5
SCHEMBL5569162 0.87 CENPE (0.36) CENPEMAP4K4MINK1S1PR1S1PR3
SCHEMBL14421571 0.87 CENPE (0.36) CENPEMAP4K4MINK1S1PR1S1PR3
SCHEMBL4792889 0.86 CENPE (0.39) CENPEMAP4K4MINK1S1PR1S1PR3
SCHEMBL4882162 0.86 CENPE (0.39) CENPEMAP4K4MINK1S1PR1S1PR3
SCHEMBL13161714 0.86 CENPE (0.54) CENPEMAP4K4MINK1S1PR1S1PR3
SCHEMBL3462435 0.86 CENPE (0.54) CENPEMAP4K4MINK1S1PR1S1PR3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219192-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-09-20 US claimed
US-20070219192-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-09-20 US disclosed
US-20070219192-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-09-20 US disclosed
US-20070219192-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-09-20 US disclosed
WO-2007056143-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 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 (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-20070219192-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885MAP4K4 821/4885MINK1 1912/4885

“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.