Sugi Predict

Sugi Predict / Compounds / SCHEMBL4483834

SCHEMBL4483834

SCHEMBL4483834

COC(=O)C(CC(C)C)Nc1sc(C(=O)c2cc(-c3ccccc3)no2)c(N)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 14/20 0.48
▸ ALDH1A1 P00352 5/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ANPEP P15144 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL4472105 0.90 MELK (0.43) MELKSMN1; SMN2POLBCYP1A2CYP2C19
SCHEMBL4480757 0.87 MELK (0.63) MELKALDH1A1MAPTGAAHPGD
SCHEMBL4473139 0.85 MELK (0.52) MELKALDH1A1MAPTGAAHPGD
SCHEMBL4468601 0.85 MELK (0.48) MELKALDH1A1MAPTGAAPOLB
SCHEMBL4509611 0.85 MELK (0.56) MELKALDH1A1MAPTGAAHPGD
SCHEMBL4489057 0.85 MELK (0.45) MELKALDH1A1GAARXFP1HPGD
SCHEMBL4473949 0.85 MELK (0.50) MELKALDH1A1MAPTGAAHPGD
SCHEMBL4477934 0.83 ALDH1A1 (0.46) MELKALDH1A1MAPTGAARXFP1
SCHEMBL4484019 0.80 ALDH1A1 (0.47) MELKALDH1A1MAPTGAAHPGD
SCHEMBL4479712 0.80 ALDH1A1 (0.48) MELKALDH1A1MAPTGAAHPGD

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 3735/4885ALDH1A1 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.