Sugi Predict

Sugi Predict / Compounds / SCHEMBL974896

SCHEMBL974896

SCHEMBL974896

COC(=O)c1sc(CO[Si](C)(C)C(C)(C)C)cc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPT P10636 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ TRPM8 Q7Z2W7 1/20 0.42
▸ LMNA P02545 3/20 0.40
▸ HPGD P15428 3/20 0.39
▸ GABRA1 P14867 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ MAPK13 O15264 1/20 0.37
▸ RAF1 P04049 1/20 0.37
▸ MAPK12 P53778 1/20 0.37
▸ MAPK11 Q15759 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37

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
SCHEMBL12922082 0.81 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EL3MBTL1MAPK1
SCHEMBL975603 0.81 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EL3MBTL1MAPK1
SCHEMBL976954 0.74 EPHX1 (0.47) ALDH1A1KDM4ETRPM8HPGDNPSR1
SCHEMBL3975619 0.74 NPC1 (0.37) ALDH1A1MAPTLMNAHPGDGABRA1
SCHEMBL13906519 0.73 L3MBTL1 (0.38) ALDH1A1MAPTKDM4EL3MBTL1MAPK1
SCHEMBL974530 0.73 CHRNB2 (0.45) ALDH1A1MAPTL3MBTL1MAPK1TRPM8
SCHEMBL976364 0.72 KDM4E (0.46) ALDH1A1MAPTKDM4ETRPM8LMNA
SCHEMBL4176375 0.72 KDM4E (0.42) ALDH1A1MAPTKDM4EL3MBTL1MAPK1
SCHEMBL977550 0.72 MAPT (0.65) ALDH1A1MAPTKDM4ETRPM8LMNA
SCHEMBL976279 0.72 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EL3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 — — US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 — — US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 — — US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 — — US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 — — US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 — — US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 — — US disclosed
EP-2217588-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-08-18 — — EP disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 — — WO 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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 ALDH1A1 699/4885MAPT 2336/4885KDM4E 165/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 ALDH1A1 699/4885MAPT 2336/4885KDM4E 165/4885

“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.