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SCHEMBL928994

SCHEMBL928994

Cc1ccc(S(=O)(=O)OCC2CCC(CO[Si](C)(C)C(C)(C)C)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 4/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ TSHR P16473 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ HTR6 P50406 1/20 0.32
▸ ENPP3 O14638 1/20 0.32
▸ ENPP1 P22413 1/20 0.32
▸ ENPP2 Q13822 1/20 0.32
▸ KEAP1 Q14145 1/20 0.32

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
SCHEMBL3427107 1.00 CYP2D6 (0.36) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL31496155 0.89 CYP2D6 (0.46) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL1133701 0.87 CYP2D6 (0.36) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL21760775 0.87 CYP2D6 (0.36) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL1845464 0.87 CYP2D6 (0.36) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL26655167 0.84 CYP2D6 (0.45) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL26655196 0.84 CYP2D6 (0.45) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL7166740 0.84 CYP2D6 (0.45) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL7032005 0.84 CYP2D6 (0.45) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL18162811 0.81 CYP2D6 (0.36) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1

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
WO-2024173646-A1 CYCLIN-DEPENDENT KINASE DEGRADING COMPOUNDS INNOVO THERAPEUTICS, INC. (US) 2024-08-22 — — WO disclosed
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 — — US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 — — US disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 — — US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 — — US disclosed
EP-1778712-B1 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY Univ Virginia Patent Found (US) 2013-01-30 — — EP disclosed
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
EP-1778712-A2 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-05-02 — — EP disclosed
WO-2006028618-A1 2-POLYCYCLIC PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2006-03-16 — — WO disclosed
US-20060040888-A1 2-propynyl adenosine analogs with modifed 5'-ribose groups having A2A agonist activity NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-02-23 — — US disclosed
US-20060040889-A1 2-polycyclic propynyl adenosine analogs having A2A agonist activity ADENOSINE THERAPEUTICS, L.L.C 2006-02-23 — — US disclosed
WO-2006015357-A2 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2006-02-09 — — WO disclosed
EP-1496911-A1 USE OF A2A ADENOSINE RECEPTOR AGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2005-01-19 — — EP disclosed
EP-1434782-A2 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF University of Virginia Patent Foundation (US) 2004-07-07 — — EP disclosed
WO-2003086408-A1 USE OF A2A ADENOSINE RECEPTOR AGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2003-10-23 — — WO disclosed
US-20030186926-A1 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-10-02 — — US disclosed
WO-2003029264-A2 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2003-04-10 — — 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 (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-20060040889-A1 2-polycyclic propynyl adenosine analogs having A2A agonist activity ADORA2A, ADORA3, ADORA1 CYP2D6 2193/4885CYP1A2 658/4885CYP3A4 1332/4885
US-20110136755-A1 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY ADORA2A, ADORA3, ADORA1 CYP2D6 2199/4885CYP1A2 1227/4885CYP3A4 2287/4885
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 CYP2D6 719/4885CYP1A2 972/4885CYP3A4 565/4885
US-20030186926-A1 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof ADORA2A, ADORA1, ADORA3 CYP2D6 1522/4885CYP1A2 489/4885CYP3A4 1417/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 CYP2D6 719/4885CYP1A2 972/4885CYP3A4 565/4885
US-20060040888-A1 2-propynyl adenosine analogs with modifed 5'-ribose groups having A2A agonist activity ADORA2A, ADORA3, ADORA1 CYP2D6 1558/4885CYP1A2 1387/4885CYP3A4 2014/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 CYP2D6 719/4885CYP1A2 972/4885CYP3A4 565/4885

“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.