SCHEMBL4393512

SCHEMBL4393512

CC(=O)NC(CS)C(=O)NCC[Si](C)(C)c1cccnc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
PTGS2 P35354 1/20 0.36
THPO P40225 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 3/20 0.36
PKM P14618 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35

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
SCHEMBL4393503 1.00 POLB (0.37) POLBSMN1; SMN2KDM4EMAPTTHRB
SCHEMBL4397742 0.89 POLB (0.38) POLBSMN1; SMN2KDM4EMAPTTHRB
SCHEMBL4397733 0.89 POLB (0.38) POLBSMN1; SMN2KDM4EMAPTTHRB
SCHEMBL4395151 0.87 CTSS (0.44) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL4395154 0.87 CTSS (0.44) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL4390392 0.80 KDM4E (0.39) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL4393657 0.80 KDM4E (0.39) POLBSMN1; SMN2KDM4EMAPTTHRB
SCHEMBL4390398 0.80 KDM4E (0.39) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL4393659 0.80 KDM4E (0.39) POLBSMN1; SMN2KDM4EMAPTTHRB
SCHEMBL4397540 0.78 MTNR1A (0.40) SMN1; SMN2CTSSCTSKCA12CA1

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 POLB 4025/4885SMN1; SMN2 798/4885KDM4E 1717/4885

“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.