SCHEMBL15218767

SCHEMBL15218767

CCCCOc1cc(C[C@@H](C[C@H](NC(=O)OCc2ccccc2)[C@@H]2C[C@@H](C(C)C)C(=O)O2)C(C)C)ccc1C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.37
CASP1 P29466 2/20 0.37
CASP3 P42574 2/20 0.37
CASP7 P55210 2/20 0.37
CASP6 P55212 2/20 0.37
CASP8 Q14790 2/20 0.37
CTSS P25774 4/20 0.36
CTSK P43235 3/20 0.36
CTSL P07711 3/20 0.36
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
PSMB5 P28074 2/20 0.35
CTSB P07858 1/20 0.35
NAAA Q02083 2/20 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
SCHEMBL15218764 0.88 REN (0.34) REN
SCHEMBL14788400 0.86 REN (0.47) REN
SCHEMBL7343601 0.86 REN (0.47) REN
SCHEMBL9928632 0.86 REN (0.47) REN
SCHEMBL4640296 0.83 REN (0.42) REN
SCHEMBL14791593 0.82 REN (0.48) REN
SCHEMBL16511409 0.82 REN (0.48) REN
SCHEMBL429920 0.81 REN (0.39) REN
SCHEMBL429921 0.81 REN (0.39) REN
SCHEMBL429922 0.81 REN (0.39) REN

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-8664440-B2 Method for preparing aliskiren and its intermediates thereof ZHEJIANG TIANYU PHARMACEUTICAL CO., LTD (CN) 2014-03-04 US disclosed
US-20130225841-A1 METHOD FOR PREPARING ALISKIREN AND ITS INTERMEDIATES THEREOF ZHEJIANG TIANYU PHARMACEUTICAL CO., LTD. (CN) 2013-08-29 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-20130225841-A1 METHOD FOR PREPARING ALISKIREN AND ITS INTERMEDIATES THEREOF FLI1, MLX, LMTK2 REN 166/4885CASP1 2717/4885CASP3 3129/4885

“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.