SCHEMBL386808

SCHEMBL386808

CCCCCC(=O)OC[C@@](C)(C=Cc1cccn1C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CTSK P43235 6/20 0.32
KLK7 P49862 5/20 0.32
KLK5 Q9Y337 5/20 0.32
PRSS1 P07477 3/20 0.32
PRSS2 P07478 3/20 0.32
PRSS3 P35030 3/20 0.32
EPHX2 P34913 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
TSHR P16473 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL386807 1.00 TPSAB1 (0.33) TPSAB1TPSD1TPSG1L3MBTL1CTSK
SCHEMBL386332 0.89 CNR2 (0.33) TPSAB1TPSD1TPSG1CTSKEPHX2
SCHEMBL386333 0.89 CNR2 (0.33) TPSAB1TPSD1TPSG1CTSKEPHX2
SCHEMBL386723 0.88 TPSAB1 (0.33) TPSAB1TPSD1TPSG1CTSKEPHX2
SCHEMBL386722 0.88 TPSAB1 (0.33) TPSAB1TPSD1TPSG1CTSKEPHX2
SCHEMBL1454880 0.79 CNR2 (0.33) TPSAB1TPSD1TPSG1CTSKEPHX2
SCHEMBL1454877 0.79 CNR2 (0.33) TPSAB1TPSD1TPSG1CTSKEPHX2
SCHEMBL387080 0.78 MAPT (0.45) L3MBTL1ALDH1A1
SCHEMBL387081 0.78 MAPT (0.45) L3MBTL1ALDH1A1
SCHEMBL5166025 0.74 DGKA (0.41) CTSKALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101650-B2 Method for treating a immunology-related disease DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-24 US disclosed
US-8067396-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2011-11-29 US disclosed
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-20090326038-A1 Method for treating a immunology-related disease SANKYO COMPANY, LIMITED (JP) 2009-12-31 US disclosed
US-7638551-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2009-12-29 US disclosed
EP-1471054-B1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE DAIICHI SANKYO CO LTD (JP) 2009-07-01 EP disclosed
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2007-06-21 US disclosed
US-20070105933-A1 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-05-10 US disclosed
US-7199150-B2 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these SANKYO COMPANY, LIMITED (JP) 2005-02-24 US disclosed
EP-1471054-A1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE Sankyo Company, Limited (JP) 2004-10-27 EP 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 (5 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-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these PHOSPHO1, CD4, FCGRT TPSAB1 3179/4885TPSD1 2958/4885TPSG1 3829/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 TPSAB1 1426/4885TPSD1 621/4885TPSG1 1032/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB TPSAB1 3833/4885TPSD1 1389/4885TPSG1 4051/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 TPSAB1 3423/4885TPSD1 2532/4885TPSG1 3919/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A TPSAB1 4829/4885TPSD1 4040/4885TPSG1 4838/4885

“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.