SCHEMBL4395151

SCHEMBL4395151

CC(=O)N[C@@H](CS)C(=O)NCC[Si](C)(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CACNA1C Q13936 1/20 0.44
SCN9A Q15858 1/20 0.44
CA9 Q16790 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL4395154 1.00 CTSS (0.44) CTSSCTSKCA12CA1CA2
SCHEMBL4393498 0.88 MAPT (0.45) CTSSCTSKCA12CA1CA2
SCHEMBL4393493 0.88 MAPT (0.45) CTSSCTSKCA12CA1CA2
SCHEMBL4390398 0.87 KDM4E (0.39) CTSSCTSKCA12CA1CA2
SCHEMBL4393657 0.87 KDM4E (0.39) CTSSCTSKCA12CA1CA2
SCHEMBL4393659 0.87 KDM4E (0.39) CTSSCTSKCA12CA1CA2
SCHEMBL4390392 0.87 KDM4E (0.39) CTSSCTSKCA12CA1CA2
SCHEMBL4393512 0.87 POLB (0.37) CTSSCTSKCA12CA1CA2
SCHEMBL4393503 0.87 POLB (0.37) CTSSCTSKCA12CA1CA2
SCHEMBL4397540 0.85 MTNR1A (0.40) CTSSCTSKCA12CA1CA2

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 CTSS 556/4885CTSK 2653/4885CA12 942/4885

“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.