SCHEMBL1799985

SCHEMBL1799985

O=C(OCC1CC1)ON1C(=O)CCC1=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.34
LMNA P02545 1/20 0.32
PTGIR P43119 2/20 0.31
PTGDR Q13258 1/20 0.31
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
GSK3B P49841 1/20 0.30
PARP15 Q460N3 1/20 0.30
PARP10 Q53GL7 1/20 0.30
PARP2 Q9UGN5 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
SCHEMBL13195396 0.93 LMNA (0.37) MGLLLMNAPARP15PARP10PARP2
SCHEMBL1796877 0.93 LMNA (0.40) MGLLLMNAPARP15PARP10
SCHEMBL2411964 0.92 LMNA (0.42) MGLLLMNAPARP15PARP10
SCHEMBL2355265 0.89 CCNE1 (0.30) CCNE1CDK2GSK3B
SCHEMBL22439268 0.82 MGLL (0.30) MGLL
SCHEMBL18748771 0.79 ALDH1A1 (0.31)
SCHEMBL14063664 0.79 MGLL (0.33) MGLLCCNE1CDK2GSK3B
SCHEMBL31326995 0.78 MGLL (0.31) MGLL
SCHEMBL4664384 0.78 MGLL (0.38) MGLL
SCHEMBL8035936 0.77 MGLL (0.32) MGLL

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3988561-A1 PREPARATION AND USE OF REACTIVE OXYGEN SPECIES SCAVENGER XWPharma Ltd. (KY) 2022-04-27 EP disclosed
US-11312703-B2 Reactive oxygen species scavengers and use for treating diseases XWPharma Ltd. (KY) 2022-04-26 US disclosed
EP-3679051-B1 PREPARATION AND USE OF REACTIVE OXYGEN SPECIES SCAVENGER XWPHARMA LTD (KY) 2021-12-29 EP disclosed
US-20210061791-A1 REACTIVE OXYGEN SPECIES SCAVENGERS AND USE FOR TREATING DISEASES XWPharma Ltd. (KY) 2021-03-04 US disclosed
US-10889572-B2 Reactive oxygen species scavengers and use for treating diseases XW LABORATORIES INC. (KY) 2021-01-12 US disclosed
US-20200199108-A1 PREPARATION AND USE OF REACTIVE OXYGEN SPECIES SCAVENGER XWPharma Ltd. (KY) 2020-06-25 US disclosed
WO-2019041361-A1 PREPARATION AND USE OF REACTIVE OXYGEN SPECIES SCAVENGER XW LABORATORIES, INC. (CN) 2019-03-07 WO disclosed
EP-2693882-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2017-06-28 EP disclosed
EP-2693882-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2017-06-28 EP disclosed
EP-2760855-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AS WELL AS THEIR USE IN TREATING TYPE-2 DIABETES MERCK SHARP & DOHME (US) 2017-03-15 EP disclosed
WO-2012138845-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2012-10-11 WO disclosed
US-8058259-B2 Substituted 4-{3-[6-amino-9-(3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-yl]-prop-2-ynyl}-piperidine-1-carboxylic acid esters as A2AR agonists UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-11-15 US disclosed
US-8058259-B2 Substituted 4-{3-[6-amino-9-(3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-yl]-prop-2-ynyl}-piperidine-1-carboxylic acid esters as A2AR agonists UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-11-15 US disclosed
US-20110257077-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-10-20 US disclosed
US-7951823-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2011-05-31 US disclosed
US-20090162282-A1 SUBSTITUTED 4--PIPERIDINE-1-CARBOXYLIC ACID ESTERS AS A2AR AGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-06-25 US disclosed
US-20090162282-A1 SUBSTITUTED 4--PIPERIDINE-1-CARBOXYLIC ACID ESTERS AS A2AR AGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-06-25 US disclosed
EP-2027143-A2 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2009-02-25 EP disclosed
WO-2007137080-A2 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2007-11-29 WO disclosed
US-20070275906-A1 Compounds and Compositions as Channel Activating Protease Inhibitors IRM LLC (BM) 2007-11-29 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 (7 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-10889572-B2 Reactive oxygen species scavengers and use for treating diseases GSR, TXNRD2, GPX1 MGLL 4066/4885LMNA 3016/4885PTGIR 540/4885
US-20090162282-A1 SUBSTITUTED 4--PIPERIDINE-1-CARBOXYLIC ACID ESTERS AS A2AR AGONISTS ADORA2A, ADORA3, ADORA1 MGLL 3083/4885LMNA 2698/4885PTGIR 133/4885
US-20210061791-A1 REACTIVE OXYGEN SPECIES SCAVENGERS AND USE FOR TREATING DISEASES GSR, TXNRD2, GPX1 MGLL 4066/4885LMNA 3016/4885PTGIR 540/4885
US-20110257077-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS PRSS1, PRSS8, PRSS2 MGLL 3534/4885LMNA 1370/4885PTGIR 1138/4885
US-20200199108-A1 PREPARATION AND USE OF REACTIVE OXYGEN SPECIES SCAVENGER GPX1, SOD1, GPX4 MGLL 4037/4885LMNA 2425/4885PTGIR 688/4885
US-11312703-B2 Reactive oxygen species scavengers and use for treating diseases GSR, TXNRD2, GPX1 MGLL 4066/4885LMNA 3016/4885PTGIR 540/4885
US-20070275906-A1 Compounds and Compositions as Channel Activating Protease Inhibitors PRSS1, PRSS8, PRSS2 MGLL 3534/4885LMNA 1370/4885PTGIR 1138/4885

“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.