SCHEMBL243310

SCHEMBL243310

C#CCC1CCC(C(=O)OC)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
BRD4 O60885 1/20 0.37
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.36
PPM1B O75688 1/20 0.34
PTPN1 P18031 1/20 0.34
PPP1CC P36873 1/20 0.34
HTT P42858 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
SCHEMBL3425669 1.00 TP53 (0.41) TP53ALDH1A1GAASMN1; SMN2BRD4
SCHEMBL2639277 0.83 TP53 (0.40) TP53ALDH1A1GAASMN1; SMN2CHRNB2
SCHEMBL1911342 0.81 TP53 (0.39) TP53ALDH1A1GAASMN1; SMN2CHRNB2
SCHEMBL14305169 0.79 TP53 (0.46) TP53ALDH1A1GAASMN1; SMN2CHRNB2
SCHEMBL17118123 0.79 TP53 (0.46) TP53ALDH1A1GAASMN1; SMN2CHRNB2
SCHEMBL5543322 0.79 GAA (0.47) TP53ALDH1A1GAASMN1; SMN2CHRNB2
SCHEMBL358775 0.79 GAA (0.47) TP53ALDH1A1GAASMN1; SMN2CHRNB2
SCHEMBL15200264 0.79 GAA (0.47) TP53ALDH1A1GAASMN1; SMN2CHRNB2
SCHEMBL5822723 0.79 BRD4 (0.44) ALDH1A1GAASMN1; SMN2BRD4
SCHEMBL2948892 0.78 TP53 (0.56) TP53ALDH1A1GAASMN1; SMN2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101068825-B Having a2A2-propynyl adenosine analogs with modified 5' -ribose groups for agonist activity Univ Virginia Patent Found 2013-05-08 CN 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-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US 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
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 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
CN-1357002-A Compositions for treating inflammatory responses UNIV VIRGINIA (US) 2002-07-03 CN disclosed
EP-1194440-A2 INDUCTION OF PHARMACOLOGICAL STRESS WITH ADENOSINE RECEPTOR AGONISTS THE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2002-04-10 EP disclosed
US-6322771-B1 PARENTERALLY ADMINISTERING TO A MAMMAL A PURINE DERIVATIVE TO DIAGNOSE CORONARY ARTERY STENOSIS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2001-11-27 US disclosed
EP-1150991-A2 COMPOSITIONS FOR TREATING INFLAMMATORY RESPONSE THE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2001-11-07 EP disclosed
US-20010027185-A1 Methods and compositions for treating inflammatory response UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2001-10-04 US disclosed
US-6232297-B1 ADMINISTERING 4-AMINOPYRROLO(3,2-D)PYRIMIDINE DERIVATIVE AS ADENOSINE RECEPTOR ANTAGONIST UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2001-05-15 US disclosed
EP-1079860-A1 NICOTINE IMMUNOGEN Independent pharmaceutica AB (SE) 2001-03-07 EP disclosed
WO-2000078774-A2 INDUCTION OF PHARMACOLOGICAL STRESS WITH ADENOSINE RECEPTOR AGONISTS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2000-12-28 WO disclosed
WO-2000044763-A2 COMPOSITIONS FOR TREATING INFLAMMATORY RESPONSE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2000-08-03 WO disclosed
WO-1999061054-A1 NICOTINE IMMUNOGEN INDEPENDENT PHARMACEUTICA AB (SE) 1999-12-02 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 (4 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-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 TP53 969/4885ALDH1A1 166/4885GAA 916/4885
US-20010027185-A1 Methods and compositions for treating inflammatory response LTB4R2, ADORA2A, PTGES2 TP53 3360/4885ALDH1A1 1787/4885GAA 1593/4885
US-20110136755-A1 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY ADORA2A, ADORA3, ADORA1 TP53 3828/4885ALDH1A1 680/4885GAA 3958/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 TP53 969/4885ALDH1A1 166/4885GAA 916/4885

“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.