SCHEMBL4486396

SCHEMBL4486396

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MELK Q14680 15/20 0.46
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
C5AR1 P21730 1/20 0.40
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL4485654 0.87 MELK (0.42) MELKALDH1A1MAPTGAAPOLB
SCHEMBL4471882 0.84 MELK (0.49) MELKALDH1A1MAPTGAAPOLB
SCHEMBL4487530 0.84 MELK (0.47) MELKALDH1A1MAPTGAAPOLB
SCHEMBL4476362 0.81 MELK (0.48) MELKALDH1A1MAPTGAAPOLB
SCHEMBL4466491 0.80 MELK (0.51) MELKALDH1A1MAPTPOLB
SCHEMBL4479270 0.79 MELK (0.56) MELKMAPTTAS1R3TAS1R1
SCHEMBL4472106 0.79 MELK (0.55) MELKTAS1R3TAS1R1
SCHEMBL4477646 0.78 MELK (0.44) MELKALDH1A1MAPTGAAPOLB
SCHEMBL4476408 0.77 MELK (0.54) MELKALDH1A1MAPTGAAPOLB
SCHEMBL4477934 0.77 ALDH1A1 (0.46) MELKALDH1A1MAPTGAAPOLB

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 3735/4885ALDH1A1 802/4885MAPT 3524/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A MELK 3735/4885ALDH1A1 802/4885MAPT 3524/4885

“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.