SCHEMBL3424858

SCHEMBL3424858

C#CC[C@H]1CC[C@H](C(=O)O)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.56
PLAT P00750 1/20 0.56
LMNA P02545 1/20 0.56
ANPEP P15144 1/20 0.44
ENPEP Q07075 1/20 0.44
TSHR P16473 2/20 0.39
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRG1 Q8N1C3 2/20 0.39

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
SCHEMBL929414 1.00 PLG (0.56) PLGPLATLMNAANPEPENPEP
SCHEMBL20501699 0.80 PLG (0.54) PLGPLATLMNAANPEPENPEP
SCHEMBL20501700 0.80 PLG (0.54) PLGPLATLMNAANPEPENPEP
SCHEMBL2640157 0.80 PLG (0.54) PLGPLATLMNAANPEPENPEP
SCHEMBL3425740 0.80 PLG (0.34) PLGPLATLMNA
SCHEMBL926893 0.80 PLG (0.34) PLGPLATLMNA
SCHEMBL402037 0.80
Acetic Acid SCHEMBL3477520 0.77 PLG (0.32) PLGPLATLMNA
Acetic Acid SCHEMBL3477522 0.77 PLG (0.32) PLGPLATLMNA
SCHEMBL125689 0.75 LMNA (0.65) PLGPLATLMNAANPEPENPEP

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-8158604-B2 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-04-17 US disclosed
US-7989431-B2 4-{3-[6-Amino-9-(5-cyclopropylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-yl]-prop-2-ynyl}-cyclohexanecarboxylic acid methyl ester; for inflammation, such as organ, tissue or cell transplantation, angioplasty (PCTA), inflammation following ischemia/reperfusion, or grafting UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-08-02 US disclosed
US-20110136755-A1 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-06-09 US disclosed
US-7875595-B2 5-[6-Amino-2-(2-hydroxy-adamantan-2-ylethynyl)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid cyclopropylamide for the treatment of inflammatory activity in mammalian tissue; A2A adenosine receptor agonist; autoimmune stimulation, allergic diseases, skin diseases, infectious diseases UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-01-25 US disclosed
US-20100152127-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-06-17 US disclosed
US-7737127-B2 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-06-15 US disclosed
US-7671191-B2 Methods for preparing 2-alkynyladenosine derivatives PGX HEALTH, LLC (US) 2010-03-02 US disclosed
US-20090298788-A1 2-POLYCYCLIC PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION AND ADENOSINE THERAPEUTICS, L.L.C. 2009-12-03 US disclosed
US-7605143-B2 2-propynyl adenosine analogs with modified 5′-ribose groups having A2A agonist activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-10-20 US disclosed
US-20090253647-A1 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION AND ADENOSINE THERAPEUTICS, L.L.C. 2009-10-08 US disclosed
US-7576069-B2 2-polycyclic propynyl adenosine analogs having A2A agonist activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-08-18 US disclosed
US-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-07-02 US disclosed
US-20080177055-A1 Methods for preparing 2-alkynyladenosine deriviatives ADENOSINE THERAPEUTICS, LLC 2008-07-24 US disclosed
US-20070232559-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-10-04 US disclosed
US-7214665-B2 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-05-08 US disclosed
EP-1079860-B1 NICOTINE IMMUNOGEN INDEPENDENT PHARMACEUTICA AB (SE) 2004-10-27 EP disclosed
US-6656469-B1 Treatment of nicotine dependence from tobacco products INDEPENDENT PHARMACEUTICA AB (SE) 2003-12-02 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-20090298788-A1 2-POLYCYCLIC PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY ADORA2A, ADORA3, ADORA1 PLG 1962/4885PLAT 842/4885LMNA 1401/4885
US-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES ADORA2A, PDE4A, PDE4B PLG 480/4885PLAT 605/4885LMNA 2031/4885
US-20070232559-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF ADORA2A, ADORA3, ADORA1 PLG 2027/4885PLAT 932/4885LMNA 1231/4885
US-20090253647-A1 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY ADORA2A, ADORA3, ADORA1 PLG 1714/4885PLAT 787/4885LMNA 902/4885
US-20110136755-A1 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY ADORA2A, ADORA3, ADORA1 PLG 1714/4885PLAT 787/4885LMNA 902/4885
US-20100152127-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF ADORA2A, ADORA3, ADORA1 PLG 2027/4885PLAT 932/4885LMNA 1231/4885
US-20080177055-A1 Methods for preparing 2-alkynyladenosine deriviatives ADORA2A, ADORA3, ADORA1 PLG 2613/4885PLAT 3679/4885LMNA 924/4885

“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.