SCHEMBL441118

SCHEMBL441118

COc1ccccc1C(c1ccccc1)(c1ccccc1OC)C(O)[C@H]1O[C@@H](n2ccc(NC(C)=O)nc2=O)[C@H](O)[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 10/20 0.39
P2RY14 Q15391 2/20 0.39
NT5E P21589 2/20 0.39
P2RY2 P41231 6/20 0.35
P2RY4 P51582 5/20 0.35
ADORA3 P0DMS8 1/20 0.34
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33

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
SCHEMBL2114899 0.92 P2RY6 (0.49) P2RY6P2RY14NT5EP2RY2P2RY4
SCHEMBL7523510 0.90 P2RY6 (0.49) P2RY6P2RY14NT5EP2RY2P2RY4
SCHEMBL441119 0.89 P2RY6 (0.42) P2RY6P2RY14NT5EP2RY2P2RY4
SCHEMBL2112367 0.87 POLB (0.40) P2RY6P2RY14NT5EADORA3ABL1
SCHEMBL5150767 0.86 NT5E (0.49) NT5E
SCHEMBL2114858 0.86 P2RY6 (0.37) P2RY6ADORA3
SCHEMBL2114901 0.82 P2RY6 (0.51) P2RY6P2RY14NT5EP2RY2P2RY4
SCHEMBL2113458 0.80 POLB (0.38) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL2116344 0.80 P2RY6 (0.43) P2RY6P2RY14NT5EP2RY2P2RY4
SCHEMBL332974 0.80 POLB (0.49) P2RY6P2RY14NT5EABL1RIN1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230193258-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES CITY OF HOPE 2023-06-22 US disclosed
US-11208654-B2 Methods and compositions for the treatment of cancer or other diseases CITY OF HOPE (US) 2021-12-28 US disclosed
CN-112955568-A Compositions and methods for improved library enrichment ILLUMINA公司 2021-06-11 CN disclosed
US-20200032255-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES CITY OF HOPE 2020-01-30 US disclosed
US-10253318-B2 Methods and compositions for the treatment of cancer or other diseases CITY OF HOPE (US) 2019-04-09 US disclosed
US-20180142239-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES CITY OF HOPE 2018-05-24 US disclosed
US-9688982-B2 Methods and compositions for the treatment of cancer or other diseases CITY OF HOPE (US) 2017-06-27 US disclosed
US-9200279-B2 Methods and compositions for the treatment of cancer or other diseases CITY OF HOPE (US) 2015-12-01 US disclosed
US-9200280-B2 Methods and compositions for the treatment of cancer or other diseases CITY OF HOPE (US) 2015-12-01 US disclosed
US-20140287987-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES CITY OF HOPE (US) 2014-09-25 US disclosed
US-8748405-B2 Methods and compositions for the treatment of cancer or other diseases CITY OF HOPE (US) 2014-06-10 US disclosed
US-20140128324-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES CITY OF HOPE (US) 2014-05-08 US disclosed
US-20140066592-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES CITY OF HOPE (US) 2014-03-06 US disclosed
US-8158770-B2 Content dependent inhibitors of cytidine deaminases and uses thereof UNIVERSITY OF ROCHESTER (US) 2012-04-17 US disclosed
US-20120065125-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES CITY OF HOPE (US) 2012-03-15 US disclosed
US-20110071210-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES CITY OF HOPE (US) 2011-03-24 US disclosed
EP-2125855-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES CITY OF HOPE (US) 2009-12-02 EP disclosed
US-20090099105-A1 Content dependent inhibitors of cytidine deaminases and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-16 US disclosed
US-20080214436-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES CITY OF HOPE (US) 2008-09-04 US disclosed
WO-2008094254-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES CITY OF HOPE (US) 2008-08-07 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 (12 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-20080214436-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 P2RY6 2211/4885P2RY14 4332/4885NT5E 429/4885
US-20120065125-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 P2RY6 2211/4885P2RY14 4332/4885NT5E 429/4885
US-20140066592-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 P2RY6 2211/4885P2RY14 4332/4885NT5E 429/4885
US-20090099105-A1 Content dependent inhibitors of cytidine deaminases and uses thereof DCTD, CDA, ADA P2RY6 3383/4885P2RY14 3427/4885NT5E 126/4885
US-20180142239-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 P2RY6 2211/4885P2RY14 4332/4885NT5E 429/4885
US-11208654-B2 Methods and compositions for the treatment of cancer or other diseases HLA-DRB1, CD47, IL2 P2RY6 2211/4885P2RY14 4332/4885NT5E 429/4885
US-20140287987-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 P2RY6 2211/4885P2RY14 4332/4885NT5E 429/4885
US-20200032255-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 P2RY6 2211/4885P2RY14 4332/4885NT5E 429/4885
US-20110071210-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 P2RY6 2211/4885P2RY14 4332/4885NT5E 429/4885
US-20230193258-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 P2RY6 2211/4885P2RY14 4332/4885NT5E 429/4885
US-20140128324-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 P2RY6 2211/4885P2RY14 4332/4885NT5E 429/4885
US-10253318-B2 Methods and compositions for the treatment of cancer or other diseases HLA-DRB1, CD47, IL2 P2RY6 2211/4885P2RY14 4332/4885NT5E 429/4885

“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.