SCHEMBL97569

SCHEMBL97569

COP(=O)(OC)C(=O)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
ALDH1A1 P00352 6/20 0.52
MAPT P10636 3/20 0.52
NPC1 O15118 1/20 0.52
PLIN1 O60240 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
PLIN5 Q00G26 1/20 0.51
ABHD5 Q8WTS1 1/20 0.51
KMT2A Q03164 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
GAA P10253 1/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 1/20 0.48
RAB9A P51151 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL524126 0.76 ALDH1A1 (0.67) CA12CA9ALDH1A1MAPTNPC1
SCHEMBL4681571 0.75 ALDH1A1 (0.71) CA12CA9ALDH1A1MAPTNPC1
SCHEMBL4124410 0.73 ALDH1A1 (0.54) CA12CA9ALDH1A1MAPTNPC1
SCHEMBL20877842 0.73 CA12 (0.58) CA12CA9ALDH1A1MAPTNPC1
SCHEMBL877582 0.73 CA12 (0.58) CA12CA9ALDH1A1MAPTNPC1
SCHEMBL29448333 0.73 ALDH1A1 (0.69) CA12CA9ALDH1A1MAPTNPC1
SCHEMBL624540 0.73 ALDH1A1 (0.69) CA12CA9ALDH1A1MAPTNPC1
SCHEMBL8940040 0.73 CA12 (0.73) CA12CA9ALDH1A1MAPTNPC1
SCHEMBL4124427 0.73 ALDH1A1 (0.53) CA12CA9ALDH1A1MAPTNPC1
SCHEMBL2823148 0.73 ELANE (0.65) CA12CA9ALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170239279-A1 PHOSPHONATE COMPOUNDS UNIV CALIFORNIA (US) 2017-08-24 US disclosed
US-9649321-B2 Phosphonate compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-05-16 US disclosed
US-20160067268-A1 PHOSPHONATE COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-10 US disclosed
US-9206208-B2 Phosphonate compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-12-08 US disclosed
US-20150051174-A1 Phosphonate Compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-19 US disclosed
US-8889658-B2 Phosphonate compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-18 US disclosed
US-8710030-B2 Phosphonate compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-04-29 US disclosed
US-20140045794-A1 Phosphonate Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-13 US disclosed
US-20130045950-A1 Phosphonate Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-02-21 US disclosed
US-8309565-B2 Phosphonate compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-13 US disclosed
US-7790703-B2 New phosphonate ester derivatives of purine or pyrimidine antivirals; side effect reduction, less toxic, bioavailability THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-09-07 US disclosed
US-20100173870-A1 Phosphonate Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-07-08 US disclosed
US-20100173870-A1 Phosphonate Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-07-08 US disclosed
US-7687480-B2 Alkylpropanediol derivatized adefovir; reduced toxicity; osteoporosis, bone metabolism disorders , cancer, viral infections THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-03-30 US disclosed
US-7687480-B2 Alkylpropanediol derivatized adefovir; reduced toxicity; osteoporosis, bone metabolism disorders , cancer, viral infections THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-03-30 US disclosed
US-7452898-B2 Use of 1-O-octadecylpropanediol-3-cidofovir to treat viral diseases such as HIV, influenza, herpes virus, cytomegalovirus, hepatitis virus, Epstein-Barr virus, varicella zoster virus, orthopox virus, ebola virus and papilloma virus THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-11-18 US disclosed
US-20080103115-A1 Alkylpropanediol derivatized adefovir; reduced toxicity; osteoporosis, bone metabolism disorders , cancer, viral infections THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-05-01 US disclosed
US-20080103115-A1 Alkylpropanediol derivatized adefovir; reduced toxicity; osteoporosis, bone metabolism disorders , cancer, viral infections THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-05-01 US disclosed
EP-1233770-B1 PHOSPHONATE COMPOUNDS UNIV CALIFORNIA AT SAN DIEGO (US) 2008-02-13 EP disclosed
US-20070161602-A1 New phosphonate ester derivatives of purine or pyrimidine antivirals; side effect reduction, less toxic, bioavailability THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-07-12 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 (8 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-20150051174-A1 Phosphonate Compounds PHPT1, PHOSPHO1, PIK3CA CA12 3388/4885CA9 1953/4885ALDH1A1 3840/4885
US-20140045794-A1 Phosphonate Compounds PHPT1, PHOSPHO1, PIK3CA CA12 3388/4885CA9 1953/4885ALDH1A1 3840/4885
US-20080103115-A1 Alkylpropanediol derivatized adefovir; reduced toxicity; osteoporosis, bone metabolism disorders , cancer, viral infections APRT, AASDHPPT, APOBEC3G CA12 4661/4885CA9 4253/4885ALDH1A1 1140/4885
US-20130045950-A1 Phosphonate Compounds PHPT1, PHOSPHO1, PIK3CA CA12 3388/4885CA9 1953/4885ALDH1A1 3840/4885
US-20170239279-A1 PHOSPHONATE COMPOUNDS PHPT1, PHOSPHO1, PIK3CA CA12 3388/4885CA9 1953/4885ALDH1A1 3840/4885
US-20160067268-A1 PHOSPHONATE COMPOUNDS PHPT1, PHOSPHO1, PIK3CA CA12 3388/4885CA9 1953/4885ALDH1A1 3840/4885
US-20070161602-A1 New phosphonate ester derivatives of purine or pyrimidine antivirals; side effect reduction, less toxic, bioavailability PNP, TYMP, UMPS CA12 4845/4885CA9 4065/4885ALDH1A1 3231/4885
US-20100173870-A1 Phosphonate Compounds PHPT1, PHOSPHO1, PIK3CA CA12 3388/4885CA9 1953/4885ALDH1A1 3840/4885

“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.