Sugi Predict

Sugi Predict / Compounds / SCHEMBL4477934

SCHEMBL4477934

SCHEMBL4477934

COC(=O)C(CC(C)C)Nc1sc(C(=O)c2c(-c3ccccc3)noc2C)c(N)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.46
▸ HPGD P15428 6/20 0.46
▸ LMNA P02545 6/20 0.46
▸ GAA P10253 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ PTBP1 P26599 3/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MELK Q14680 7/20 0.44
▸ CYP3A4 P08684 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41

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
SCHEMBL4476383 0.88 ALDH1A1 (0.44) ALDH1A1HPGDLMNAGAAMAPT
SCHEMBL4483834 0.83 MELK (0.48) ALDH1A1HPGDGAAMAPTHTT
SCHEMBL4476362 0.81 MELK (0.48) ALDH1A1LMNAGAAMAPTPOLB
SCHEMBL4472280 0.80 ALDH1A1 (0.53) ALDH1A1HPGDLMNAGAAMAPT
SCHEMBL4472091 0.79 ALDH1A1 (0.47) ALDH1A1HPGDLMNAGAAMAPT
SCHEMBL4480478 0.78 ALDH1A1 (0.52) ALDH1A1HPGDLMNAGAAMAPT
SCHEMBL4471882 0.78 MELK (0.49) ALDH1A1LMNAGAAMAPTPOLB
SCHEMBL4489057 0.78 MELK (0.45) ALDH1A1HPGDGAAPOLBSMN1; SMN2
SCHEMBL4477646 0.77 MELK (0.44) ALDH1A1HPGDGAAMAPTPOLB
SCHEMBL4484695 0.77 MELK (0.57) ALDH1A1HPGDLMNAGAAMAPT

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 ALDH1A1 802/4885HPGD 319/4885LMNA 2349/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A ALDH1A1 802/4885HPGD 319/4885LMNA 2349/4885

“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.