SCHEMBL384032

SCHEMBL384032

CC(N)(CCc1ccc(C(=O)CCOCC2CCCCC2)s1)CCP(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.39
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
S1PR5 Q9H228 2/20 0.39
SPHK1 Q9NYA1 14/20 0.34
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SPHK2 Q9NRA0 1/20 0.30
PPM1D O15297 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL386209 0.88 S1PR1 (0.40) S1PR4S1PR1S1PR3S1PR5SPHK1
SCHEMBL5166076 0.88 SPHK1 (0.34) SPHK1NPC1TP53HPGDTSHR
SCHEMBL387187 0.87 S1PR4 (0.40) S1PR4S1PR1S1PR3S1PR5NPC1
SCHEMBL385832 0.87 S1PR4 (0.39) S1PR4S1PR1S1PR3S1PR5NPC1
SCHEMBL386276 0.86 S1PR4 (0.45) S1PR4S1PR1S1PR3S1PR5SPHK1
SCHEMBL385185 0.86 S1PR4 (0.39) S1PR4S1PR1S1PR3S1PR5SPHK1
SCHEMBL383591 0.85 S1PR4 (0.40) S1PR4S1PR1S1PR3S1PR5SPHK1
SCHEMBL384133 0.83 S1PR4 (0.41) S1PR4S1PR1S1PR3S1PR5NPC1
SCHEMBL387809 0.83 S1PR4 (0.43) S1PR4S1PR1S1PR3S1PR5NPC1
SCHEMBL386555 0.78 S1PR4 (0.49) S1PR4S1PR1S1PR3S1PR5HDAC3

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

“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.