SCHEMBL385839

SCHEMBL385839

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
HTT P42858 3/20 0.44
ALDH1A1 P00352 10/20 0.41
POLB P06746 8/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
RECQL P46063 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PKM P14618 1/20 0.36
GAA P10253 2/20 0.34
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
SCHEMBL385840 1.00 MAPT (0.44) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL387081 0.89 MAPT (0.45) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL387080 0.89 MAPT (0.45) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL1454880 0.80 CNR2 (0.33)
SCHEMBL1454877 0.80 CNR2 (0.33)
SCHEMBL386260 0.77 DGKA (0.41) MAPTALDH1A1MEN1KMT2A
SCHEMBL13795006 0.73 MAPT (0.54) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL386333 0.69 CNR2 (0.33) ALDH1A1
SCHEMBL386332 0.69 CNR2 (0.33) ALDH1A1
SCHEMBL30768263 0.69 DGKA (0.49) MAPTALDH1A1MEN1KMT2A

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 3715/4885SMN1; SMN2 4443/4885NPC1 4382/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 MAPT 3338/4885SMN1; SMN2 2758/4885NPC1 1364/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB MAPT 2117/4885SMN1; SMN2 3687/4885NPC1 1745/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 MAPT 1819/4885SMN1; SMN2 4596/4885NPC1 4117/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A MAPT 3634/4885SMN1; SMN2 4797/4885NPC1 4240/4885

“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.