Sugi Predict

Sugi Predict / Compounds / SCHEMBL4476408

SCHEMBL4476408

SCHEMBL4476408

COC(=O)C(CC(C)C)Nc1sc(C(=O)c2cccc(Cl)c2)c(N)c1C#N

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 12/20 0.54
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ GAA P10253 2/20 0.45
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL4503875 0.87 MELK (0.49) MELKMEN1KMT2APOLBMAPK1
SCHEMBL4471882 0.84 MELK (0.49) MELKPOLBALDH1A1LMNAMAPT
SCHEMBL4476362 0.79 MELK (0.48) MELKPOLBALDH1A1LMNAMAPT
SCHEMBL4466491 0.79 MELK (0.51) MELKMEN1KMT2APOLBMAPK1
SCHEMBL4479270 0.79 MELK (0.56) MELKMAPTKDM4ENPSR1CYP1A2
SCHEMBL4472106 0.79 MELK (0.55) MELK
SCHEMBL4486396 0.77 MELK (0.46) MELKPOLBALDH1A1MAPTGAA
SCHEMBL4483834 0.77 MELK (0.48) MELKPOLBALDH1A1MAPTGAA
SCHEMBL4474300 0.77 MELK (0.55) MELKALDH1A1MAPTGAA
SCHEMBL4480166 0.77 MAPT (0.62) MELKMEN1KMT2APOLBMAPK1

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 10 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-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 — — US disclosed
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-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 — — 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 3735/4885MEN1 2737/4885KMT2A 2234/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A MELK 3735/4885MEN1 2737/4885KMT2A 2234/4885

“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.