SCHEMBL2211380

SCHEMBL2211380

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

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 15/20 0.46
PTGER2 P43116 12/20 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
SCHEMBL2211387 1.00 PTGER4 (0.46) PTGER4PTGER2
SCHEMBL2212157 0.90 PTGER2 (0.51) PTGER4PTGER2
SCHEMBL2212164 0.90 PTGER2 (0.51) PTGER4PTGER2
SCHEMBL2210801 0.88 PTGER4 (0.46) PTGER4PTGER2
SCHEMBL2210793 0.88 PTGER4 (0.46) PTGER4PTGER2
SCHEMBL2213022 0.88 PTGER2 (0.52) PTGER4PTGER2
SCHEMBL2213017 0.88 PTGER2 (0.52) PTGER4PTGER2
SCHEMBL2426082 0.86 PTGER4 (0.54) PTGER4PTGER2
SCHEMBL2426084 0.86 PTGER4 (0.54) PTGER4PTGER2
SCHEMBL2212933 0.83 PTGER4 (0.49) PTGER4PTGER2

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 17 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-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
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
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
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US 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 (6 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 PTGER4 1/4885PTGER2 4/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 PTGER4 3094/4885PTGER2 3379/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 PTGER4 2537/4885PTGER2 2828/4885
US-20110237511-A1 EP4 Receptor Agonist, Compositions and Methods Thereof PTGER4, PTGER1, PTGER3 PTGER4 1/4885PTGER2 4/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 PTGER4 1115/4885PTGER2 2290/4885
US-20050227969-A1 EP4 receptor agonist, compositions and methods thereof PTGER4, PTGER1, PTGER3 PTGER4 1/4885PTGER2 4/4885

“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.