SCHEMBL1363561

SCHEMBL1363561

COc1cccc(OCCCC(=O)c2ccc(CCC(C)(N)CCP(=O)(O)O)s2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.45
S1PR1 P21453 2/20 0.45
S1PR3 Q99500 2/20 0.45
S1PR5 Q9H228 1/20 0.45
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.34
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 1/20 0.34
HRH3 Q9Y5N1 3/20 0.34
GGPS1 O95749 1/20 0.34
MMP1 P03956 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
SCHEMBL387515 0.91 S1PR4 (0.45) S1PR4S1PR1S1PR3S1PR5ALDH1A1
SCHEMBL386449 0.91 S1PR1 (0.53) S1PR4S1PR1S1PR3S1PR5ALDH1A1
SCHEMBL386375 0.90 S1PR4 (0.44) S1PR4S1PR1S1PR3S1PR5FFAR1
SCHEMBL386113 0.90 S1PR4 (0.51) S1PR4S1PR1S1PR3S1PR5TDP1
SCHEMBL386517 0.89 S1PR4 (0.43) S1PR4S1PR1S1PR3S1PR5ALDH1A1
SCHEMBL384250 0.89 S1PR4 (0.43) S1PR4S1PR1S1PR3S1PR5ALDH1A1
SCHEMBL386315 0.88 HDAC1 (0.44) S1PR4S1PR1S1PR3S1PR5MTNR1A
SCHEMBL386074 0.88 S1PR1 (0.46) S1PR4S1PR1S1PR3S1PR5MTNR1A
SCHEMBL5166095 0.88 MTNR1A (0.39) MTNR1AMTNR1BALDH1A1L3MBTL1TSHR
SCHEMBL385567 0.87 S1PR4 (0.53) S1PR4S1PR1S1PR3S1PR5TDP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (4 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-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.