SCHEMBL1120690

SCHEMBL1120690

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
LMNA P02545 2/20 0.66
TP53 P04637 1/20 0.66
MAPT P10636 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
HINT1 P49773 6/20 0.61
GSK3A P49840 2/20 0.56
RPS6KA3 P51812 2/20 0.56
MAPK14 Q16539 2/20 0.56
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
PNP P00491 1/20 0.53
NT5E P21589 1/20 0.52
THRB P10828 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.52
PRKAB2 O43741 1/20 0.51
PRKAG1 P54619 1/20 0.51
PRKAA2 P54646 1/20 0.51
PRKAA1 Q13131 1/20 0.51

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
SCHEMBL314536 1.00 ALDH1A1 (0.68) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL4386265 1.00 ALDH1A1 (0.68) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL3422978 1.00 ALDH1A1 (0.68) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL278167 1.00 ALDH1A1 (0.68) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL1061031 1.00 ALDH1A1 (0.68) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL25407962 1.00 ALDH1A1 (0.68) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL13462039 1.00 ALDH1A1 (0.68) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL14144174 1.00 ALDH1A1 (0.68) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL13296251 1.00 ALDH1A1 (0.68) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL16809000 0.95 ALDH1A1 (0.63) ALDH1A1LMNATP53MAPTTDP1

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-20220340613-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AND METHODS OF USE IMMUNESENSOR THERAPEUTICS, INC. 2022-10-27 US disclosed
EP-1947092-B1 Method for producing nucleic acid base having perfluoroalkyl group TOSOH CORP (JP) 2015-04-15 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
EP-1943251-B8 A1 ADENOSINE RECEPTOR AGONISTS GILEAD PALO ALTO INC (US) 2011-03-23 EP disclosed
EP-1943251-B1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS INC (US) 2011-02-09 EP disclosed
US-7884202-B2 Nucleobases are perfluoroalkylated in a one step process with a perfluoroalkyl halide in the presence of a sulfoxide, a peroxide and an iron compound; useful as medicinal drugs, intermediates for medicinal drugs and agricultural chemicals TOSOH CORPORATION (JP) 2011-02-08 US disclosed
US-20110021748-A1 Non-Natural Peptides as Models for the Development of Antibiotics WAYNE STATE UNIVERSITY (US) 2011-01-27 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-20090324708-A1 COMPOUND HAVING INHIBITORY ACTIVITY ON A RHO-GTPASE CELL PROTEIN, A PROCESS FOR OBTAINING THE SAME, PHARMACEUTICAL COMPOSITIONS COMPRISING THEREOF AND A METHOD FOR THE TREATMENT OF RHO-GTPASE CELL PROTEIN-MEDIATED CONDITION UNIVERSIDAD NACIONAL DE QUILMES (AR) 2009-12-31 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-20090137520-A1 A1 ADENOSINE RECEPTOR AGONISTS ELZEIN ELFATIH 2009-05-28 US disclosed
US-7488720-B2 A1 adenosine receptor agonists CV THERAPEUTICS, INC. (US) 2009-02-10 US disclosed
EP-1943251-A2 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2008-07-16 EP disclosed
WO-2008055875-A1 COMPOUND HAVING INHIBITORY ACTIVITY ON A RHO-GTPASE CELL PROTEIN, A PROCESS FOR OBTAINING THE SAME, PHARMACEUTICAL COMPOSITIONS COMPRISION THEREOF AND A METHOD FOR THE TREATMENT OF A RHO-GTPASE CELL PROTEIN-MEDIATED CONDITION UNIVERSIDAD NACIONAL DE QUILMES (AR) 2008-05-15 WO disclosed
WO-2007047401-A2 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2007-04-26 WO disclosed
US-20070087994-A1 treating tachycardia and atrial flutter, angina, and myocardial infarction; N-({9-[(4S ,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(cyclopentylamino)purin-2-yl}methyl)carbamoylmethylsulfonic acid CV THERAPEUTICS, INC. 2007-04-19 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-20090137520-A1 A1 ADENOSINE RECEPTOR AGONISTS ADORA1, ADORA2A, ADORA3 ALDH1A1 129/4885LMNA 2001/4885TP53 4125/4885
US-20220340613-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AND METHODS OF USE CGAS, PDE7A, PDE11A ALDH1A1 3411/4885LMNA 1349/4885TP53 774/4885
US-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES ADORA2A, PDE4A, PDE4B ALDH1A1 1012/4885LMNA 2031/4885TP53 4748/4885
US-20100152127-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF ADORA2A, ADORA3, ADORA1 ALDH1A1 635/4885LMNA 1231/4885TP53 4422/4885
US-20070087994-A1 treating tachycardia and atrial flutter, angina, and myocardial infarction; N-({9-[(4S ,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(cyclopentylamino)purin-2-yl}methyl)carbamoylmethylsulfonic acid FFAR1, ADORA3, ADORA1 ALDH1A1 472/4885LMNA 3102/4885TP53 4304/4885
US-20110021748-A1 Non-Natural Peptides as Models for the Development of Antibiotics MRPL21, SPOUT1, EMG1 ALDH1A1 3405/4885LMNA 2736/4885TP53 3042/4885
US-20090324708-A1 COMPOUND HAVING INHIBITORY ACTIVITY ON A RHO-GTPASE CELL PROTEIN, A PROCESS FOR OBTAINING THE SAME, PHARMACEUTICAL COMPOSITIONS COMPRISING THEREOF AND A METHOD FOR THE TREATMENT OF RHO-GTPASE CELL PROTEIN-MEDIATED CONDITION RHOA, ARHGDIA, ARHGDIB ALDH1A1 4493/4885LMNA 4307/4885TP53 1708/4885

“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.