SCHEMBL1619181

SCHEMBL1619181

CC1(C)O[C@@H](COCC(=O)O)[C@@H](C=O)O1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PGD P52209 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL1617762 0.86 ALDH1A1 (0.32) PGDALDH1A1
SCHEMBL7034290 0.86 ALDH1A1 (0.32) PGDALDH1A1
SCHEMBL1619271 0.83
SCHEMBL1619120 0.81
SCHEMBL1617804 0.79
SCHEMBL14256138 0.73 PGD (0.32) PGD
SCHEMBL4514143 0.73 PGD (0.32) PGD
SCHEMBL15330939 0.73 PGD (0.32) PGD
SCHEMBL3730234 0.73 PGD (0.32) PGD
SCHEMBL1619185 0.73 CYP3A4 (0.31) PGD

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 PGD 2067/4885ALDH1A1 1336/4885
US-20040162433-A1 Lipoxin A4 analogs LTA4H, LTB4R, LTB4R2 PGD 2952/4885ALDH1A1 1459/4885
US-20030139376-A1 Lipoxin A4 analogs LTA4H, LTB4R, LTB4R2 PGD 2952/4885ALDH1A1 1459/4885
US-20070105949-A1 Intermediates for the preparation of lipoxin A4 analogs LTB4R, LTB4R2, LTC4S PGD 1662/4885ALDH1A1 1140/4885

“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.