SCHEMBL13617959

SCHEMBL13617959

CC(C)(CCCO[Si](C)(C)C(C)(C)C)CN(C[C@@H](O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)S(=O)(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.45
SPPL2A Q8TCT8 1/20 0.41
BCL2 P10415 2/20 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
SCHEMBL12710578 0.93 SPPL2A (0.41) ABCB1SPPL2A
SCHEMBL13617967 0.91 ABCB1 (0.46) ABCB1SPPL2ABCL2
SCHEMBL13617965 0.91 ABCB1 (0.44) ABCB1SPPL2ABCL2
SCHEMBL13630839 0.90 ABCB1 (0.45) ABCB1SPPL2ABCL2
SCHEMBL13617816 0.90 ABCB1 (0.45) ABCB1SPPL2ABCL2
SCHEMBL1600674 0.86 ABCB1 (0.41) ABCB1SPPL2A
SCHEMBL1600677 0.86 ABCB1 (0.41) ABCB1SPPL2A
SCHEMBL24066642 0.86 ABCB1 (0.49) ABCB1SPPL2ABCL2
SCHEMBL13617810 0.85 SPPL2A (0.56) ABCB1SPPL2A
SCHEMBL1602955 0.85 SPPL2A (0.46) ABCB1SPPL2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 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-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 ABCB1 628/4885SPPL2A 93/4885BCL2 1781/4885

“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.