SCHEMBL4393657

SCHEMBL4393657

CC(=O)N[C@@H](CS)C(=O)NCC[Si](C)(C)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
PTGS2 P35354 1/20 0.39
THPO P40225 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.36
CNR1 P21554 1/20 0.35
LMNA P02545 3/20 0.35
KMT2A Q03164 2/20 0.35
ACE P12821 1/20 0.35
ACACB O00763 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 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
SCHEMBL4393659 1.00 KDM4E (0.39) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4394592 0.89 KDM4E (0.40) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4394596 0.89 KDM4E (0.40) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4390392 0.88 KDM4E (0.39) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4390398 0.88 KDM4E (0.39) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4395151 0.87 CTSS (0.44) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4395154 0.87 CTSS (0.44) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4397540 0.85 MTNR1A (0.40) SMN1; SMN2ACECTSSCTSKCA12
SCHEMBL4397538 0.85 MTNR1A (0.40) SMN1; SMN2ACECTSSCTSKCA12
SCHEMBL4393512 0.80 POLB (0.37) KDM4EMAPTTHRBALOX15NFKB1

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 5 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
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 1717/4885MAPT 2308/4885THRB 4445/4885

“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.