SCHEMBL387080

SCHEMBL387080

CCCCCC(=O)OC[C@@](C)(/C=C/c1ccco1)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 3/20 0.45
ALDH1A1 P00352 9/20 0.42
POLB P06746 8/20 0.39
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RECQL P46063 2/20 0.36
PKM P14618 1/20 0.36
GAA P10253 2/20 0.35
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL387081 1.00 MAPT (0.45) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL385839 0.89 MAPT (0.44) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL385840 0.89 MAPT (0.44) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL13795006 0.84 MAPT (0.54) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL386333 0.80 CNR2 (0.33) ALDH1A1
SCHEMBL386332 0.80 CNR2 (0.33) ALDH1A1
SCHEMBL386723 0.79 TPSAB1 (0.33) ALDH1A1
SCHEMBL386722 0.79 TPSAB1 (0.33) ALDH1A1
SCHEMBL386807 0.78 TPSAB1 (0.33) ALDH1A1L3MBTL1
SCHEMBL386808 0.78 TPSAB1 (0.33) ALDH1A1L3MBTL1

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 MAPT 3715/4885NPC1 4382/4885RAB9A 1886/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 MAPT 3338/4885NPC1 1364/4885RAB9A 2460/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB MAPT 2117/4885NPC1 1745/4885RAB9A 2503/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 MAPT 1819/4885NPC1 4117/4885RAB9A 1873/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A MAPT 3634/4885NPC1 4240/4885RAB9A 919/4885

“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.