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Sugi Predict / Compounds / SCHEMBL2208705

SCHEMBL2208705

SCHEMBL2208705

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SSTR5 P35346 1/20 0.43
▸ HTR3A P46098 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ATM Q13315 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ DYRK1A Q13627 4/20 0.36
▸ ROCK1 Q13464 1/20 0.35
▸ GPR139 Q6DWJ6 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ SLC16A3 O15427 1/20 0.35
▸ SLC16A1 P53985 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34

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
SCHEMBL13844069 0.87 HTR3A (0.41) HTR3AALDH1A1ATMDYRK1AGPR139
SCHEMBL3957542 0.87 HTR3A (0.41) HTR3AALDH1A1DYRK1AGPR139
SCHEMBL2212451 0.87 SSTR5 (0.49) SSTR5HTR3AALDH1A1MEN1KMT2A
SCHEMBL2212756 0.86 SSTR5 (0.42) SSTR5HTR3AALDH1A1ATMMEN1
SCHEMBL13844068 0.86 DYRK1A (0.47) HTR3AALDH1A1ATMKMT2ADYRK1A
SCHEMBL2241822 0.85 AKR1C3 (0.41) HTR3AALDH1A1ATMDYRK1AGPR139
SCHEMBL17452609 0.85 ROCK1 (0.47) SSTR5HTR3AATMMEN1KMT2A
SCHEMBL3953382 0.85 SSTR5 (0.44) SSTR5HTR3AALDH1A1KMT2ADYRK1A
SCHEMBL10074055 0.85 CFD (0.35) ALDH1A1MEN1KMT2AGPR139NPC1
SCHEMBL4782905 0.84 HTR3A (0.36) SSTR5HTR3AALDH1A1ATMMEN1

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 52 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-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 — — EP 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
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 — — US 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-2004085431-A1 PROSTAGLANDIN ANALOGS AS EP4 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD. (CA) 2004-10-07 — — WO claimed
WO-2004085430-A1 PROSTAGLANDIN ANALOGS AS EP4 RECEPTOR AGONISTS 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
EP-1562909-B1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK SHARP & DOHME (US) 2012-06-27 — — EP 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 (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 SSTR5 540/4885HTR3A 475/4885ALDH1A1 3096/4885
US-20090270395-A1 EP4 Receptor Agonist, Compositions and Methods Thereof PTGER4, PTGER1, PTGER3 SSTR5 482/4885HTR3A 585/4885ALDH1A1 2261/4885
US-20110237511-A1 EP4 Receptor Agonist, Compositions and Methods Thereof PTGER4, PTGER1, PTGER3 SSTR5 553/4885HTR3A 488/4885ALDH1A1 3109/4885
US-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS SSTR5 3273/4885HTR3A 2676/4885ALDH1A1 4151/4885
US-20090105234-A1 EP4 Receptor Agonist, Compositions and Methods Thereof PTGER4, PTGER1, PTGER3 SSTR5 553/4885HTR3A 488/4885ALDH1A1 3109/4885
US-20050227969-A1 EP4 receptor agonist, compositions and methods thereof PTGER4, PTGER1, PTGER3 SSTR5 553/4885HTR3A 488/4885ALDH1A1 3109/4885

“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.