SCHEMBL386221

SCHEMBL386221

Cc1ccc(OCCCC(=O)c2ccc(CCC(C)(N)CCP(=O)(O)O)s2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.53
S1PR3 Q99500 8/20 0.53
S1PR4 O95977 5/20 0.53
S1PR5 Q9H228 5/20 0.53
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
PPARA Q07869 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL386449 0.92 S1PR1 (0.53) S1PR1S1PR3S1PR4S1PR5PPARA
SCHEMBL383910 0.91 S1PR1 (0.52) S1PR1S1PR3S1PR4S1PR5PPARA
SCHEMBL383803 0.91 S1PR1 (0.52) S1PR1S1PR3S1PR4S1PR5L3MBTL1
SCHEMBL387390 0.91 S1PR1 (0.47) S1PR1S1PR3S1PR4S1PR5POLB
SCHEMBL386113 0.91 S1PR4 (0.51) S1PR1S1PR3S1PR4S1PR5PPARA
SCHEMBL385212 0.90 S1PR1 (0.50) S1PR1S1PR3S1PR4S1PR5L3MBTL1
SCHEMBL387846 0.90 S1PR1 (0.48) S1PR1S1PR3S1PR4S1PR5CYP1A2
SCHEMBL385038 0.90 S1PR1 (0.50) S1PR1S1PR3S1PR4S1PR5PPARA
SCHEMBL387515 0.89 S1PR4 (0.45) S1PR1S1PR3S1PR4S1PR5CYP1A2
SCHEMBL385567 0.88 S1PR4 (0.53) S1PR1S1PR3S1PR4S1PR5PPARA

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 S1PR1 257/4885S1PR3 414/4885S1PR4 1110/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 S1PR1 159/4885S1PR3 194/4885S1PR4 519/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB S1PR1 465/4885S1PR3 504/4885S1PR4 1344/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 S1PR1 70/4885S1PR3 89/4885S1PR4 281/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A S1PR1 593/4885S1PR3 622/4885S1PR4 1542/4885

“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.