SCHEMBL384376

SCHEMBL384376

CC(N)(CCc1ccc(-c2ccc(OCc3ccccc3)cc2)s1)CCP(=O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.49
S1PR1 P21453 7/20 0.48
S1PR3 Q99500 7/20 0.48
S1PR4 O95977 5/20 0.48
S1PR5 Q9H228 5/20 0.48
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPRA P18433 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SMPD1 P17405 1/20 0.38
MAOB P27338 1/20 0.37
GSTP1 P09211 1/20 0.37
PARP10 Q53GL7 1/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL386953 0.87 S1PR1 (0.52) NR4A2S1PR1S1PR3S1PR4S1PR5
SCHEMBL6306680 0.85 NR4A2 (0.52) NR4A2S1PR1S1PR3MGAMGAA
SCHEMBL386921 0.80 S1PR4 (0.46) S1PR1S1PR3S1PR4S1PR5PARP10
SCHEMBL383700 0.80 S1PR4 (0.51) S1PR1S1PR3S1PR4S1PR5
SCHEMBL384153 0.78 S1PR1 (0.57) S1PR1S1PR3S1PR4S1PR5
SCHEMBL387839 0.77 S1PR1 (0.59) S1PR1S1PR3S1PR4S1PR5
SCHEMBL385703 0.76 S1PR4 (0.48) S1PR1S1PR3S1PR4S1PR5MEN1
SCHEMBL386710 0.76 S1PR4 (0.49) S1PR1S1PR3S1PR4S1PR5
SCHEMBL383488 0.76 S1PR1 (0.61) S1PR1S1PR3S1PR4S1PR5
SCHEMBL386057 0.75 S1PR1 (0.51) S1PR1S1PR3S1PR4S1PR5

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 NR4A2 3453/4885S1PR1 257/4885S1PR3 414/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 NR4A2 3086/4885S1PR1 159/4885S1PR3 194/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB NR4A2 778/4885S1PR1 465/4885S1PR3 504/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 NR4A2 2154/4885S1PR1 70/4885S1PR3 89/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A NR4A2 2176/4885S1PR1 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.