SCHEMBL4395839

SCHEMBL4395839

CC(=O)NC(CS)C(=O)NCCCC[Si](C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
PTGS2 P35354 1/20 0.47
THPO P40225 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
SIRT6 Q8N6T7 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
GRIA1 P42261 1/20 0.39
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
CAPN1 P07384 1/20 0.34

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
SCHEMBL4395835 1.00 KDM4E (0.47) KDM4ESMN1; SMN2MAPTTHRBALOX15
SCHEMBL4390415 0.98 SIRT6 (0.48) KDM4ESMN1; SMN2MAPTTHRBALOX15
SCHEMBL4396875 0.98 SIRT6 (0.48) KDM4ESMN1; SMN2MAPTTHRBALOX15
SCHEMBL4390412 0.98 SIRT6 (0.48) KDM4ESMN1; SMN2MAPTTHRBALOX15
SCHEMBL4395359 0.98 SIRT6 (0.48) KDM4ESMN1; SMN2MAPTTHRBALOX15
SCHEMBL4396884 0.98 SIRT6 (0.48) KDM4ESMN1; SMN2MAPTTHRBALOX15
SCHEMBL4395356 0.98 SIRT6 (0.48) KDM4ESMN1; SMN2MAPTTHRBALOX15
SCHEMBL4401007 0.95 KDM4E (0.49) KDM4ESMN1; SMN2MAPTTHRBALOX15
SCHEMBL4401008 0.95 KDM4E (0.49) KDM4ESMN1; SMN2MAPTTHRBALOX15
SCHEMBL929209 0.85 KDM4E (0.52) KDM4ESMN1; SMN2MAPTTHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306015-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HIGHLY LIPOPHILIC SULFHYDRYL COMPOUNDS SILAMED, INC. (US) 2009-12-10 US claimed
EP-1968609-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HIGHLY LIPOPHILIC SULFHYDRYL COMPOUNDS RND Pharmaceuticals, Inc. (US) 2008-09-17 EP claimed
WO-2007073560-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HIGHLY LIPOPHILIC SULFHYDRYL COMPOUNDS RND PHARMACEUTICALS, INC. (US) 2007-06-28 WO claimed
US-20090306015-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HIGHLY LIPOPHILIC SULFHYDRYL COMPOUNDS SILAMED, INC. (US) 2009-12-10 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-20090306015-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HIGHLY LIPOPHILIC SULFHYDRYL COMPOUNDS SI, SCLY, SGMS1 KDM4E 1717/4885SMN1; SMN2 798/4885MAPT 2308/4885

“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.