SCHEMBL2213017

SCHEMBL2213017

CC(C)OC(=O)c1ccc(CCCN2C(=O)CCC[C@@H]2/C=C/[C@@H](O)C(F)(F)c2ccccc2)s1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 8/20 0.52
PTGER4 P35408 15/20 0.46
PTGER3 P43115 1/20 0.46

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
SCHEMBL2213022 1.00 PTGER2 (0.52) PTGER2PTGER4PTGER3
SCHEMBL2212084 0.90 PTGER2 (0.59) PTGER2PTGER4PTGER3
SCHEMBL2212075 0.90 PTGER2 (0.59) PTGER2PTGER4PTGER3
SCHEMBL2210801 0.88 PTGER4 (0.46) PTGER2PTGER4
SCHEMBL2211380 0.88 PTGER4 (0.46) PTGER2PTGER4
SCHEMBL2211387 0.88 PTGER4 (0.46) PTGER2PTGER4
SCHEMBL2210793 0.88 PTGER4 (0.46) PTGER2PTGER4
SCHEMBL5953821 0.88 PTGER2 (0.59) PTGER2PTGER4PTGER3
SCHEMBL5953814 0.88 PTGER2 (0.59) PTGER2PTGER4PTGER3
SCHEMBL2211044 0.86 PTGER2 (0.59) PTGER2PTGER4PTGER3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237511-A1 EP4 Receptor Agonist, Compositions and Methods Thereof MERCK FROSST CANADA (CA) 2011-09-29 US claimed
EP-1613621-B1 PROSTAGLANDIN ANALOGS AS EP4 RECEPTOR AGONISTS MERCK FROSST CANADA LTD (CA) 2010-07-21 EP claimed
US-7238710-B2 EP4 receptor agonist, compositions and methods thereof MERCK FROSST CANADA, LTD. (CA) 2007-07-03 US claimed
US-20050227969-A1 EP4 receptor agonist, compositions and methods thereof MERCK CANADA INC. (CA) 2005-10-13 US claimed
US-20040198701-A1 EP4 receptor agonist, compositions and methods thereof MERCK CANADA INC. (CA) 2004-10-07 US claimed
US-20110237511-A1 EP4 Receptor Agonist, Compositions and Methods Thereof MERCK FROSST CANADA (CA) 2011-09-29 US disclosed
US-RE42562-E1 EP4 receptor agonist, compositions and methods thereof MERCK FROSST CANADA (CA) 2011-07-19 US disclosed
EP-1613621-B1 PROSTAGLANDIN ANALOGS AS EP4 RECEPTOR AGONISTS MERCK FROSST CANADA LTD (CA) 2010-07-21 EP disclosed
US-7238710-B2 EP4 receptor agonist, compositions and methods thereof MERCK FROSST CANADA, LTD. (CA) 2007-07-03 US disclosed
US-7053085-B2 A piperidin-2-one, 1,3-oxazinan-2-one, or 1,3-thiazinan-2-one compound for treatment of glaucoma, mediating the bone modeling and remodeling processes of the osteoblasts and osteoclasts; 7-{(4S)-4-[(3R)-3-hydroxy-4-phenylbutyl]-2-oxo-1,3-oxazinan-3-yl}heptanoic acid; side effect reduction MERCK & CO. INC. (US) 2006-05-30 US disclosed
US-20050227969-A1 EP4 receptor agonist, compositions and methods thereof MERCK CANADA INC. (CA) 2005-10-13 US disclosed
US-20040198701-A1 EP4 receptor agonist, compositions and methods thereof MERCK CANADA INC. (CA) 2004-10-07 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 (3 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-20040198701-A1 EP4 receptor agonist, compositions and methods thereof PTGER4, PTGER1, PTGER3 PTGER2 4/4885PTGER4 1/4885PTGER3 3/4885
US-20110237511-A1 EP4 Receptor Agonist, Compositions and Methods Thereof PTGER4, PTGER1, PTGER3 PTGER2 4/4885PTGER4 1/4885PTGER3 3/4885
US-20050227969-A1 EP4 receptor agonist, compositions and methods thereof PTGER4, PTGER1, PTGER3 PTGER2 4/4885PTGER4 1/4885PTGER3 3/4885

“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.