SCHEMBL3463625

SCHEMBL3463625

CC(O)CC(Cc1ccc(-c2cn3c(n2)S(=O)(=O)CC3)cc1)NC(=O)c1ccc(OC(C)C)c(C#N)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 2/20 0.55
S1PR1 P21453 11/20 0.38
S1PR5 Q9H228 5/20 0.37
S1PR3 Q99500 3/20 0.37
XDH P47989 2/20 0.37
WDR5 P61964 1/20 0.35

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
SCHEMBL3463626 1.00 CENPE (0.55) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL2104253 1.00 CENPE (0.55) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL2104256 0.93 CENPE (0.55) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL3463628 0.93 CENPE (0.55) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL2104178 0.86 CENPE (0.58) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL2104065 0.81 CENPE (0.65) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL4528871 0.81 CENPE (0.65) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL2105021 0.81 CENPE (0.59) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL15865538 0.79 CENPE (0.84) CENPES1PR1S1PR5S1PR3
SCHEMBL3461325 0.79 CENPE (0.73) CENPES1PR1S1PR5S1PR3XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795448-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2010-09-14 US disclosed
US-20070197481-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-08-23 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-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885S1PR1 2943/4885S1PR5 3427/4885

“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.