SCHEMBL2212451

SCHEMBL2212451

COc1ccc2c(C(=O)O)nn(CC(=O)C(C)(C)C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.49
ALDH1A1 P00352 4/20 0.45
PKM P14618 2/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTGER4 P35408 2/20 0.39
HTR3A P46098 1/20 0.39
CCR9 P51686 1/20 0.38
DYRK1A Q13627 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
MEN1 O00255 1/20 0.37
PLA2G2A P14555 1/20 0.37
ELANE P08246 1/20 0.37
PTGER1 P34995 1/20 0.37

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
SCHEMBL3953382 0.88 SSTR5 (0.44) SSTR5ALDH1A1KMT2ARAB9AHTR3A
SCHEMBL10073857 0.88 SSTR5 (0.46) SSTR5ALDH1A1LMNAHPGDTSHR
SCHEMBL2208705 0.87 SSTR5 (0.43) SSTR5ALDH1A1KMT2ARAB9AHTR3A
SCHEMBL2205523 0.86 SSTR5 (0.42) SSTR5ALDH1A1PKMRAB9AHTR3A
SCHEMBL17437939 0.84 ROCK1 (0.49) SSTR5ALDH1A1PKMGAAKMT2A
SCHEMBL3133312 0.83 SSTR5 (0.43) SSTR5ALDH1A1PKMHTR3A
SCHEMBL3131958 0.83 SSTR5 (0.46) SSTR5ALDH1A1PKMKDM4EHPGD
SCHEMBL492396 0.83 ALDH1A1 (0.49) ALDH1A1PKMGAAKMT2ALMNA
SCHEMBL4014060 0.83 SSTR5 (0.41) SSTR5ALDH1A1PKMGAAHTR3A
SCHEMBL10074429 0.82 SSTR5 (0.44) SSTR5ALDH1A1LMNAPTGER4HTR3A

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 31 patents — showing the first 20. 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-20090270395-A1 EP4 Receptor Agonist, Compositions and Methods Thereof MERCK & CO., INC. 2009-10-29 US claimed
EP-1912957-A4 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF MERCK FROSST CANADA LTD (CA) 2009-05-13 EP claimed
US-20090105234-A1 EP4 Receptor Agonist, Compositions and Methods Thereof MERCK & CO., INC. 2009-04-23 US claimed
EP-1912957-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF Merck Frosst Canada Ltd. (CA) 2008-04-23 EP claimed
EP-1912977-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF Merck Frosst Canada Ltd. (CA) 2008-04-23 EP claimed
WO-2007014462-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF MERCK FROSST CANADA LTD. (CA) 2007-02-08 WO claimed
WO-2007014454-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF MERCK FROSST CANADA LTD. (CA) 2007-02-08 WO claimed
JP-2006520758-A 2006-09-14 JP claimed
EP-1613621-A1 PROSTAGLANDIN ANALOGS AS EP4 RECEPTOR AGONISTS Merck Frosst Canada Ltd. (CA) 2006-01-11 EP claimed
WO-2005116010-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF MERCK FROSST CANADA LTD. (CA) 2005-12-08 WO claimed
US-20050227969-A1 EP4 receptor agonist, compositions and methods thereof MERCK CANADA INC. (CA) 2005-10-13 US claimed
WO-2004085430-A1 PROSTAGLANDIN ANALOGS AS EP4 RECEPTOR AGONISTS MERCK FROSST CANADA LTD. (CA) 2004-10-07 WO claimed
WO-2004085431-A1 PROSTAGLANDIN ANALOGS AS EP4 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD. (CA) 2004-10-07 WO 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
WO-2004085431-A1 PROSTAGLANDIN ANALOGS AS EP4 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD. (CA) 2004-10-07 WO disclosed
WO-2004085430-A1 PROSTAGLANDIN ANALOGS AS EP4 RECEPTOR AGONISTS MERCK FROSST CANADA LTD. (CA) 2004-10-07 WO 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 (5 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 SSTR5 540/4885ALDH1A1 3096/4885PKM 2057/4885
US-20090270395-A1 EP4 Receptor Agonist, Compositions and Methods Thereof PTGER4, PTGER1, PTGER3 SSTR5 482/4885ALDH1A1 2261/4885PKM 1937/4885
US-20110237511-A1 EP4 Receptor Agonist, Compositions and Methods Thereof PTGER4, PTGER1, PTGER3 SSTR5 553/4885ALDH1A1 3109/4885PKM 2089/4885
US-20090105234-A1 EP4 Receptor Agonist, Compositions and Methods Thereof PTGER4, PTGER1, PTGER3 SSTR5 553/4885ALDH1A1 3109/4885PKM 2089/4885
US-20050227969-A1 EP4 receptor agonist, compositions and methods thereof PTGER4, PTGER1, PTGER3 SSTR5 553/4885ALDH1A1 3109/4885PKM 2089/4885

“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.