SCHEMBL1619110

SCHEMBL1619110

O=C(O)COCC1OC(=O)OC1/C=C/C=C/C#C/C=C/[C@@H](O)COc1ccc(F)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.33
TBXA2R P21731 1/20 0.31
PTGFR P43088 5/20 0.31
PTGER3 P43115 1/20 0.31

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
SCHEMBL1619114 1.00 PTGIR (0.33) PTGIRTBXA2RPTGFRPTGER3
SCHEMBL1619366 0.85 PTGIR (0.33) PTGIRPTGFR
SCHEMBL1619371 0.85 PTGIR (0.33) PTGIRPTGFR
SCHEMBL4455714 0.78 ABCB1 (0.34) PTGIRTBXA2RPTGFRPTGER3
SCHEMBL5079745 0.78 ABCB1 (0.34) PTGIRTBXA2RPTGFRPTGER3
SCHEMBL4451943 0.78 ABCB1 (0.34) PTGIRTBXA2RPTGFRPTGER3
SCHEMBL4448184 0.78 ABCB1 (0.34) PTGIRTBXA2RPTGFRPTGER3
SCHEMBL1398009 0.78 ABCB1 (0.34) PTGIRTBXA2RPTGFRPTGER3
SCHEMBL4449606 0.78 ABCB1 (0.34) PTGIRTBXA2RPTGFRPTGER3
SCHEMBL4447911 0.78 ABCB1 (0.34) PTGIRTBXA2RPTGFRPTGER3

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-7994346-B2 such as methyl 2-({(4S,5R)-5-[(1E,3E,7E)-(S)-10-(4-fluorophenoxy)-9-hydroxydeca-1,3,7-trien-5-yn-1-yl]-2,2-dimethyl-1,3-dioxolan-4-yl}methoxy)acetate, useful in treating inflammatory and autoimmune disorders in humans BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-09 US disclosed
US-7928255-B2 Intermediates for the preparation of lipoxin A4 analogs BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-04-19 US disclosed
EP-1472209-B1 LIPOXIN A4 ANALOGS BAYER SCHERING PHARMA AG (DE) 2009-03-04 EP disclosed
US-7223798-B2 Lipoxin A4 analogs SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-29 US disclosed
US-20070105949-A1 Intermediates for the preparation of lipoxin A4 analogs SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-10 US disclosed
US-20070037864-A1 Intermediates for the preparation of lipoxin A4 analogs SCHERING AKTIENGESELLSCHAFT (DE) 2007-02-15 US disclosed
US-6831186-B2 Antiinflammatory agents; autoimmune disease SCHERING AKTIENGESELLSCHFT (DE) 2004-12-14 US disclosed
US-20040162433-A1 Lipoxin A4 analogs SCHERING AKTIENGESELLSCHAFT (DE) 2004-08-19 US disclosed
US-20030139376-A1 Lipoxin A4 analogs SCHERING AKTIENGESELLSCHAFT (DE) 2003-07-24 US 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-20070037864-A1 Intermediates for the preparation of lipoxin A4 analogs LTB4R, LTB4R2, LTA4H PTGIR 142/4885TBXA2R 39/4885PTGFR 412/4885
US-20040162433-A1 Lipoxin A4 analogs LTA4H, LTB4R, LTB4R2 PTGIR 387/4885TBXA2R 97/4885PTGFR 663/4885
US-20030139376-A1 Lipoxin A4 analogs LTA4H, LTB4R, LTB4R2 PTGIR 387/4885TBXA2R 97/4885PTGFR 663/4885
US-20070105949-A1 Intermediates for the preparation of lipoxin A4 analogs LTB4R, LTB4R2, LTC4S PTGIR 132/4885TBXA2R 37/4885PTGFR 403/4885

“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.