SCHEMBL386783

SCHEMBL386783

C[C@@](N)(CCc1ccc(CCCCCc2ccccc2)o1)COC(=O)C(=O)OC[C@](C)(N)CCc1ccc(CCCCCc2ccccc2)o1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
LTB4R Q15722 2/20 0.38
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NAAA Q02083 3/20 0.38
CES1 P23141 4/20 0.38
FAAH O00519 3/20 0.37
S1PR4 O95977 2/20 0.37
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 2/20 0.37
S1PR5 Q9H228 2/20 0.37
GRM2 Q14416 1/20 0.37
GRM3 Q14832 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
SCHEMBL386503 0.88 CES1 (0.42) CES1FAAH
SCHEMBL386564 0.84 CXCR2 (0.37) LMNAGRM2GRM3
SCHEMBL385072 0.84 S1PR1 (0.53) S1PR4S1PR1S1PR3S1PR5
Oxalic Acid SCHEMBL386782 0.83 MAPT (0.40) LTB4RMAPTRXFP1CES1FAAH
SCHEMBL387857 0.82 FFAR1 (0.36) LMNAMAPTGRM2GRM3
SCHEMBL386946 0.82 TNNC1 (0.41) LTB4RMAPTRXFP1S1PR4S1PR1
SCHEMBL384110 0.82 TNNC1 (0.41) LTB4RMAPTRXFP1S1PR4S1PR1
SCHEMBL5658171 0.80 S1PR1 (0.46) LMNALTB4RMAPTRXFP1NAAA
SCHEMBL5657253 0.79 S1PR1 (0.47) LMNALTB4RMAPTRXFP1CES1
SCHEMBL385534 0.79 S1PR1 (0.50) S1PR4S1PR1S1PR3S1PR5

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 LMNA 4143/4885LTB4R 901/4885MAPT 3715/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 LMNA 3060/4885LTB4R 39/4885MAPT 3338/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB LMNA 1187/4885LTB4R 545/4885MAPT 2117/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 LMNA 2699/4885LTB4R 257/4885MAPT 1819/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A LMNA 1759/4885LTB4R 1213/4885MAPT 3634/4885

“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.