SCHEMBL3215577

SCHEMBL3215577

CC1(C)OB(c2cccc3sc(COC(=O)c4ccnc(-c5cccc6sc(CO)cc56)c4)cc23)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
JMJD6 Q6NYC1 9/20 0.35
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ROCK1 Q13464 1/20 0.31
MAPT P10636 1/20 0.30
PFKFB3 Q16875 1/20 0.30
PFKFB4 Q16877 1/20 0.30
S1PR5 Q9H228 1/20 0.30
LIPE Q05469 1/20 0.30

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
SCHEMBL3215570 0.89 KDM4C (0.40) JMJD6ROCK1S1PR5
SCHEMBL3206278 0.84 ALDH1A1 (0.35) ALDH1A1L3MBTL1JMJD6
SCHEMBL1850714 0.79 KDM4E (0.49) ALDH1A1L3MBTL1JMJD6ROCK1MAPT
SCHEMBL3207187 0.78 JMJD6 (0.33) ALDH1A1L3MBTL1JMJD6
SCHEMBL1851577 0.77 CYP2A6 (0.41) S1PR5
SCHEMBL1850872 0.74 KDM4C (0.49) ROCK1S1PR5
SCHEMBL3206270 0.72 KDM4C (0.40) JMJD6S1PR5
SCHEMBL1851004 0.70 KDM4E (0.48) ALDH1A1L3MBTL1JMJD6ROCK1MAPT
SCHEMBL3207183 0.68 KDM4C (0.38) ROCK1PFKFB4
SCHEMBL1848497 0.66 HPGD (0.47) ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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 (1 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 ALDH1A1 2005/4885L3MBTL1 3700/4885JMJD6 3726/4885

“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.