SCHEMBL441420

SCHEMBL441420

COc1ccccc1C(c1ccccc1)(c1ccccc1OC)C(O)[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TAAR1 Q96RJ0 2/20 0.42
TYMP P19971 2/20 0.39
HINT1 P49773 1/20 0.39
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
IMPDH2 P12268 3/20 0.37
IMPDH1 P20839 1/20 0.37
ADORA2B P29275 1/20 0.37

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
SCHEMBL2115345 0.93 TAS1R3 (0.52) TAS1R3TAS1R1TAAR1TYMPHINT1
SCHEMBL441421 0.91 TYMP (0.48) TAS1R3TAS1R1KDM4ETAAR1TYMP
SCHEMBL2113123 0.88 KDM4E (0.50) TAS1R3TAS1R1KDM4ETAAR1TYMP
SCHEMBL9116771 0.88 KDM4E (0.42) TAS1R3TAS1R1KDM4ETAAR1TYMP
SCHEMBL9155236 0.88 TAS1R3 (0.36) TAS1R3TAS1R1KDM4ETAAR1
SCHEMBL8669174 0.86 TAAR1 (0.51) TAAR1TYMPHINT1
SCHEMBL14722197 0.86 TAS1R3 (0.47) TAS1R3TAS1R1KDM4ETAAR1TYMP
SCHEMBL5963306 0.85 TYMP (0.44) TAS1R3TAS1R1KDM4ETAAR1TYMP
SCHEMBL9294603 0.85 TYMP (0.44) TAS1R3TAS1R1KDM4ETAAR1TYMP
SCHEMBL2115347 0.83 TAS1R3 (0.54) TAS1R3TAS1R1TAAR1TYMPHINT1

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 19 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
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-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-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
US-6379931-B1 Chimeric DNA/RNA ribozymes containing propanediol CITY OF HOPE 2002-04-30 US disclosed
EP-0633890-B1 SUPPORT FOR OLIGONUCLEOTIDE SYNTHESIS ZENECA LTD (GB) 1998-09-09 EP 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 (11 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 TAS1R3 3660/4885TAS1R1 3981/4885KDM4E 3701/4885
US-20120065125-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 TAS1R3 3660/4885TAS1R1 3981/4885KDM4E 3701/4885
US-20140066592-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 TAS1R3 3660/4885TAS1R1 3981/4885KDM4E 3701/4885
US-20180142239-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 TAS1R3 3660/4885TAS1R1 3981/4885KDM4E 3701/4885
US-11208654-B2 Methods and compositions for the treatment of cancer or other diseases HLA-DRB1, CD47, IL2 TAS1R3 3660/4885TAS1R1 3981/4885KDM4E 3701/4885
US-20140287987-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 TAS1R3 3660/4885TAS1R1 3981/4885KDM4E 3701/4885
US-20200032255-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 TAS1R3 3660/4885TAS1R1 3981/4885KDM4E 3701/4885
US-20110071210-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 TAS1R3 3660/4885TAS1R1 3981/4885KDM4E 3701/4885
US-20230193258-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 TAS1R3 3660/4885TAS1R1 3981/4885KDM4E 3701/4885
US-20140128324-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 TAS1R3 3660/4885TAS1R1 3981/4885KDM4E 3701/4885
US-10253318-B2 Methods and compositions for the treatment of cancer or other diseases HLA-DRB1, CD47, IL2 TAS1R3 3660/4885TAS1R1 3981/4885KDM4E 3701/4885

“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.