SCHEMBL3205672

SCHEMBL3205672

CC(C)(C)OC(=O)N[C@@](C)(CCc1ccc(C(=O)CCCCc2ccccc2)o1)CCP(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.41
CES1 P23141 3/20 0.38
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
SIGMAR1 Q99720 3/20 0.35
NAAA Q02083 1/20 0.35
DAGLA Q9Y4D2 1/20 0.35

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
SCHEMBL3205662 1.00 FAAH (0.41) FAAHCES1S1PR2S1PR4S1PR1
SCHEMBL386963 0.90 FAAH (0.36) FAAHCES1SIGMAR1DAGLA
SCHEMBL386667 0.89 CES1 (0.42) FAAHCES1SIGMAR1DAGLA
SCHEMBL386964 0.84 FAAH (0.38) FAAHCES1S1PR2S1PR4S1PR1
SCHEMBL3185558 0.82 FAAH (0.39) FAAHCES1
SCHEMBL3185556 0.82 FAAH (0.39) FAAHCES1
SCHEMBL387356 0.81 CES1 (0.41) FAAHCES1SIGMAR1DAGLA
SCHEMBL386091 0.81 S1PR4 (0.45) FAAHCES1S1PR2S1PR4S1PR1
SCHEMBL3194214 0.81 S1PR1 (0.47) FAAHCES1S1PR2S1PR4S1PR1
SCHEMBL3194222 0.81 S1PR1 (0.47) FAAHCES1S1PR2S1PR4S1PR1

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-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 FAAH 3010/4885CES1 762/4885S1PR2 458/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 FAAH 922/4885CES1 524/4885S1PR2 228/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB FAAH 450/4885CES1 834/4885S1PR2 578/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 FAAH 486/4885CES1 945/4885S1PR2 107/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A FAAH 967/4885CES1 2087/4885S1PR2 708/4885

“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.