SCHEMBL2211707

SCHEMBL2211707

CC(C)OC(=O)CCCCCCN1C(=O)OCC[C@@H]1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ LMNA P02545 2/20 0.34
▸ EPHX2 P34913 1/20 0.30
▸ PRKCA P17252 3/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL2210287 0.84 ALDH1A1 (0.41) ALDH1A1GAALMNA
SCHEMBL2207699 0.83 ALDH1A1 (0.44) ALDH1A1GAALMNAEPHX2PRKCA
SCHEMBL14453240 0.83 ALDH1A1 (0.39) ALDH1A1GAALMNA
SCHEMBL13663147 0.80 TP53 (0.32) GAA
SCHEMBL2210521 0.79 ALDH1A1 (0.44) ALDH1A1GAALMNAEPHX2PRKCA
SCHEMBL4106475 0.78 PTGER4 (0.34) —
SCHEMBL4301619 0.77 CYP4F2 (0.41) ALDH1A1LMNA
SCHEMBL6686327 0.73 PTGER4 (0.41) ALDH1A1ALOX15
SCHEMBL6686330 0.73 PTGER4 (0.41) ALDH1A1ALOX15
SCHEMBL4551977 0.72 HRH1 (0.42) ALDH1A1ALOX15HSD17B10

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 7 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 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 ALDH1A1 3096/4885GAA 3917/4885LMNA 2777/4885
US-20110237511-A1 EP4 Receptor Agonist, Compositions and Methods Thereof PTGER4, PTGER1, PTGER3 ALDH1A1 3109/4885GAA 3907/4885LMNA 2765/4885
US-20050227969-A1 EP4 receptor agonist, compositions and methods thereof PTGER4, PTGER1, PTGER3 ALDH1A1 3109/4885GAA 3907/4885LMNA 2765/4885

“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.

Send feedback