SCHEMBL4397540

SCHEMBL4397540

COc1ccc([Si](C)(C)CCNC(=O)C(CS)NC(C)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CTSL P07711 2/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CACNA1C Q13936 1/20 0.38
SCN9A Q15858 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38

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
SCHEMBL4397538 1.00 MTNR1A (0.40) MTNR1AMTNR1BSMN1; SMN2CTSLCTSS
SCHEMBL4391826 0.89 MTNR1A (0.39) MTNR1AMTNR1BSMN1; SMN2CA12CA1
SCHEMBL4391821 0.89 MTNR1A (0.39) MTNR1AMTNR1BSMN1; SMN2CA12CA1
SCHEMBL4390398 0.85 KDM4E (0.39) SMN1; SMN2CTSLCTSSCTSKCA12
SCHEMBL4393657 0.85 KDM4E (0.39) SMN1; SMN2CTSSCTSKCA12CA1
SCHEMBL4390392 0.85 KDM4E (0.39) SMN1; SMN2CTSLCTSSCTSKCA12
SCHEMBL4393659 0.85 KDM4E (0.39) SMN1; SMN2CTSSCTSKCA12CA1
SCHEMBL4395151 0.85 CTSS (0.44) SMN1; SMN2CTSSCTSKCA12CA1
SCHEMBL4395154 0.85 CTSS (0.44) SMN1; SMN2CTSSCTSKCA12CA1
SCHEMBL4393512 0.78 POLB (0.37) 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 MTNR1A 2616/4885MTNR1B 2309/4885SMN1; SMN2 798/4885

“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.