SCHEMBL442576

SCHEMBL442576

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)COc5ccc(C(C)(C)C)cc5)nc43)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TYMP P19971 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL6275071 0.95 KDM4E (0.38) KDM4ENPC1MAPTRAB9ATAS1R3
SCHEMBL17222397 0.91 KDM4E (0.47) KDM4ETAS1R3TAS1R1TYMP
SCHEMBL2028468 0.85 ADORA2B (0.38) ADORA3ADORA2BADORA1
SCHEMBL7922128 0.85 KDM4E (0.34) KDM4ETYMP
SCHEMBL6930727 0.82 KDM4E (0.38) KDM4ETAS1R3TAS1R1TYMPALDH1A1
SCHEMBL733920 0.82 KDM4E (0.39) KDM4ETAS1R3TAS1R1
SCHEMBL7197818 0.81 KDM4E (0.48) KDM4ETAS1R3TAS1R1TYMP
SCHEMBL12765886 0.81 KDM4E (0.48) KDM4ETAS1R3TAS1R1TYMP
SCHEMBL17911715 0.81 KDM4E (0.40) KDM4ETAS1R3TAS1R1TYMP
SCHEMBL6929037 0.81 KDM4E (0.38) KDM4ETAS1R3TAS1R1TYMPALDH1A1

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 16 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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 KDM4E 3701/4885NPC1 798/4885MAPT 2829/4885
US-20120065125-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 KDM4E 3701/4885NPC1 798/4885MAPT 2829/4885
US-20140066592-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 KDM4E 3701/4885NPC1 798/4885MAPT 2829/4885
US-20180142239-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 KDM4E 3701/4885NPC1 798/4885MAPT 2829/4885
US-11208654-B2 Methods and compositions for the treatment of cancer or other diseases HLA-DRB1, CD47, IL2 KDM4E 3701/4885NPC1 798/4885MAPT 2829/4885
US-20140287987-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 KDM4E 3701/4885NPC1 798/4885MAPT 2829/4885
US-20200032255-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 KDM4E 3701/4885NPC1 798/4885MAPT 2829/4885
US-20230193258-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 KDM4E 3701/4885NPC1 798/4885MAPT 2829/4885
US-20140128324-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 KDM4E 3701/4885NPC1 798/4885MAPT 2829/4885
US-10253318-B2 Methods and compositions for the treatment of cancer or other diseases HLA-DRB1, CD47, IL2 KDM4E 3701/4885NPC1 798/4885MAPT 2829/4885

“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.