SCHEMBL385598

SCHEMBL385598

CC(N)(CCc1ccc(C(=O)CCCCc2cccc(Cl)c2)s1)CCP(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.38
FAAH O00519 1/20 0.37
S1PR1 P21453 4/20 0.37
S1PR4 O95977 3/20 0.37
S1PR3 Q99500 3/20 0.37
S1PR5 Q9H228 2/20 0.37
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AKT3 Q9Y243 1/20 0.36
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PLAAT3 P53816 1/20 0.34
PLAAT5 Q96KN8 1/20 0.34
PLAAT2 Q9NWW9 1/20 0.34
PLAAT4 Q9UL19 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
SCHEMBL386765 0.92 S1PR1 (0.39) S1PR1S1PR4S1PR3S1PR5POLB
SCHEMBL384024 0.90 FDPS (0.41) NAAAS1PR1S1PR4S1PR3S1PR5
SCHEMBL387153 0.89 S1PR1 (0.37) NAAAFAAHS1PR1S1PR4S1PR3
SCHEMBL385042 0.89 S1PR1 (0.44) NAAAS1PR1S1PR4S1PR3S1PR5
SCHEMBL383831 0.88 S1PR4 (0.43) FAAHS1PR1S1PR4S1PR3S1PR5
SCHEMBL386055 0.88 S1PR1 (0.37) FAAHS1PR1S1PR4S1PR3S1PR5
SCHEMBL387634 0.88 S1PR1 (0.40) S1PR1S1PR4S1PR3S1PR5POLB
SCHEMBL5166217 0.88 NAAA (0.41) NAAAFAAHPOLBTDP1AKT3
SCHEMBL386525 0.88 S1PR4 (0.44) FAAHS1PR1S1PR4S1PR3S1PR5
SCHEMBL385747 0.87 ACP3 (0.40) S1PR1S1PR4S1PR3S1PR5POLB

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 NAAA 2485/4885FAAH 3010/4885S1PR1 257/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 NAAA 1835/4885FAAH 922/4885S1PR1 159/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB NAAA 2886/4885FAAH 450/4885S1PR1 465/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 NAAA 2550/4885FAAH 486/4885S1PR1 70/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A NAAA 830/4885FAAH 967/4885S1PR1 593/4885

“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.