SCHEMBL4485654

SCHEMBL4485654

COC(=O)C(CCSC)Nc1sc(C(=O)c2csc3ccccc23)c(N)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MELK Q14680 13/20 0.42
FNTA P49354 5/20 0.41
FNTB P49356 5/20 0.41
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL4486396 0.87 MELK (0.46) MELKALDH1A1MAPTGAAPOLB
SCHEMBL4478066 0.85 MELK (0.45) MELKFNTAFNTBALDH1A1MAPT
SCHEMBL4466112 0.85 MELK (0.43) MELKFNTAFNTBALDH1A1MAPT
SCHEMBL4488267 0.82 MELK (0.44) MELKFNTAFNTBALDH1A1MAPT
SCHEMBL4471914 0.81 MELK (0.46) MELKFNTAFNTBALDH1A1MAPT
SCHEMBL4471906 0.80 MELK (0.51) MELKFNTAFNTB
SCHEMBL4476670 0.79 FNTA (0.41) MELKFNTAFNTBALDH1A1MAPT
SCHEMBL4503875 0.78 MELK (0.49) MELKFNTAFNTBALDH1A1MAPT
SCHEMBL4476383 0.78 ALDH1A1 (0.44) MELKFNTAFNTBALDH1A1MAPT
SCHEMBL4483168 0.77 MELK (0.51) MELKFNTAFNTBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 US disclosed
US-20060041006-A1 PDE4B inhibitors and uses therefor PLEXXIKON, INC. 2006-02-23 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 (2 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-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PDE4B, PDE7B, PDE4A MELK 3735/4885FNTA 900/4885FNTB 513/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A MELK 3735/4885FNTA 900/4885FNTB 513/4885

“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.