SCHEMBL387033

SCHEMBL387033

C[C@@](N)(CCc1ccc(C#CCCCc2ccc(Cl)cc2)o1)COC(=O)C(=O)OC[C@](C)(N)CCc1ccc(C#CCCCc2ccc(Cl)cc2)o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
ALOX5 P09917 1/20 0.33
HRH1 P35367 1/20 0.33
RECQL P46063 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 1/20 0.31
PMP22 Q01453 1/20 0.31
NLRP3 Q96P20 1/20 0.31
S1PR1 P21453 4/20 0.31
S1PR3 Q99500 4/20 0.31
S1PR5 Q9H228 4/20 0.31
S1PR4 O95977 3/20 0.31
HTR2B P41595 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL386564 0.90 CXCR2 (0.37) POLBRECQLCYP3A4CYP2D6CYP2C9
SCHEMBL387054 0.87 S1PR1 (0.46) S1PR1S1PR3S1PR5S1PR4
SCHEMBL386923 0.86 POLB (0.35) POLBMAPTALOX5HRH1RECQL
Oxalic Acid SCHEMBL387032 0.85 POLB (0.36) POLBMAPTALOX5HRH1RECQL
SCHEMBL387857 0.85 FFAR1 (0.36) POLBMAPTALOX5HRH1RECQL
SCHEMBL387198 0.84 ALDH1A1 (0.37) ALOX5HRH1ALDH1A1
SCHEMBL385890 0.82 S1PR1 (0.43) POLBMAPTALOX5HRH1RECQL
SCHEMBL386641 0.82 HTR2B (0.39) MAPTALOX5HTR2BALDH1A1GAA
SCHEMBL383604 0.81 S1PR4 (0.32) S1PR1S1PR3S1PR5S1PR4
SCHEMBL387638 0.78 PPARG (0.35) POLBRECQLNFKB1S1PR1S1PR3

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 10 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-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 POLB 2164/4885MAPT 3715/4885ALOX5 197/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 POLB 4236/4885MAPT 3338/4885ALOX5 251/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB POLB 2273/4885MAPT 2117/4885ALOX5 807/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A POLB 1476/4885MAPT 3634/4885ALOX5 671/4885

“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.