SCHEMBL136037

SCHEMBL136037

NC1c2ncn([C@@H]3O[C@H](CO)C(O)C3O)c2N=CN1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 4/20 0.61
ALDH1A1 P00352 2/20 0.50
TP53 P04637 2/20 0.50
HTT P42858 2/20 0.50
BLM P54132 2/20 0.50
GMNN O75496 1/20 0.50
LMNA P02545 1/20 0.50
NFKB1 P19838 1/20 0.50
DNMT1 P26358 1/20 0.50
THPO P40225 1/20 0.50
MTOR P42345 1/20 0.50
RAB9A P51151 1/20 0.50
HBB P68871 1/20 0.50
PMP22 Q01453 1/20 0.50
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL2028602 1.00 ADA (0.61) ADAALDH1A1TP53HTTBLM
SCHEMBL3345754 0.91 ADA (0.60) ADAALDH1A1TP53HTTBLM
SCHEMBL5064838 0.89 ADA (0.60) ADAALDH1A1TP53HTTBLM
SCHEMBL772296 0.89 ADA (0.63) ADAALDH1A1TP53HTTBLM
SCHEMBL8861820 0.89 ADA (0.56) ADAALDH1A1TP53HTTBLM
SCHEMBL899393 0.88 ADA (0.58) ADAALDH1A1TP53HTTBLM
SCHEMBL288325 0.88 ADA (0.58) ADAALDH1A1TP53HTTBLM
SCHEMBL8000695 0.88 ADA (0.58) ADAALDH1A1TP53HTTBLM
SCHEMBL5555999 0.88 ADA (0.63) ADAALDH1A1TP53HTTBLM
SCHEMBL13727118 0.85 ADA (0.55) ADAALDH1A1TP53HTTBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233770-B1 PHOSPHONATE COMPOUNDS UNIV CALIFORNIA AT SAN DIEGO (US) 2008-02-13 EP claimed
US-7098197-B2 An antiviral nucleoside in which the 5'-hydroxyl group has been substituted for a phosphonate or methyl phosphonate that is covalently linked to an alkylethanediol; osteoporosis; anticarcinogenic agents; viricides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-08-29 US claimed
WO-2005090370-A1 PHARMACOLOGICALLY ACTIVE AGENTS CONTAINING ESTERIFIED PHOSPHONATES AND METHODS FOR USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-09-29 WO claimed
US-20050192246-A1 Pharmacologically active agents containing esterified phosphonates and methods for use thereof US ARMY, SECRETARY OF THE ARMY 2005-09-01 US claimed
US-20050182019-A1 An antiviral nucleoside in which the 5'-hydroxyl group has been substituted for a phosphonate or methyl phosphonate that is covalently linked to an alkylethanediol; osteoporosis; anticarcinogenic agents; viricides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2005-08-18 US claimed
US-10071110-B2 Phosphonate compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-09-11 US disclosed
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-20050176673-A1 guanin-9-yl, adenin-9-yl, 2,6-diaminopurin-9-yl, 2-aminopurin-9-yl or their 1-deaza, 3-deaza, or 8-aza compounds, or cytosin-1-yl - ethoxymethanephosphonic acid derivatives, used to treat osteoporosis and other disorders of bone metabolism, cancer, or viral infections THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2005-08-11 US disclosed
US-20040127735-A1 New phosphonate ester derivatives of drugs such as antivirals cidofovir, adefovir, tenofovir, azidothymidine (AZT), or bisphosphonates such as alendronate, or anticancers such as cytosine arabinoside; side effect reduction, less toxic; antiviral THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-07-01 US disclosed
EP-0740650-B1 CODRUGS AS A METHOD OF CONTROLLED DRUG DELIVERY UNIV KENTUCKY RES FOUND (US) 2004-05-26 EP disclosed
US-6716825-B2 OSTEOPOROSIS AND OTHER DISORDERS OF BONE METABOLISUM, CANCER, VIRAL INFECTIONS, AND THE LIKE. THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-04-06 US disclosed
US-20040019232-A1 Analogs of phosphonate and bisphosphonate compounds based on bone resorption suppressors (alendronic acid), viricides (cidofovir) and antineoplastic agents (bemcitabine); nontoxic; bioavailability; side effects reduction NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-01-29 US disclosed
EP-1233770-A4 PHOSPHONATE COMPOUNDS UNIV CALIFORNIA AT SAN DIEGO (US) 2003-04-16 EP disclosed
EP-1233770-A2 PHOSPHONATE COMPOUNDS The Regents of The University of California at San Diego (US) 2002-08-28 EP disclosed
WO-2001039724-A2 PHOSPHONATE COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) 2001-06-07 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 (9 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 ADA 445/4885ALDH1A1 3840/4885TP53 794/4885
US-20050176673-A1 guanin-9-yl, adenin-9-yl, 2,6-diaminopurin-9-yl, 2-aminopurin-9-yl or their 1-deaza, 3-deaza, or 8-aza compounds, or cytosin-1-yl - ethoxymethanephosphonic acid derivatives, used to treat osteoporosis and other disorders of bone metabolism, cancer, or viral infections ENPP1, ADA, ENTPD5 ADA 2/4885ALDH1A1 2983/4885TP53 836/4885
US-10071110-B2 Phosphonate compounds PHPT1, PHOSPHO1, PIK3CA ADA 445/4885ALDH1A1 3840/4885TP53 794/4885
US-20040127735-A1 New phosphonate ester derivatives of drugs such as antivirals cidofovir, adefovir, tenofovir, azidothymidine (AZT), or bisphosphonates such as alendronate, or anticancers such as cytosine arabinoside; side effect reduction, less toxic; antiviral TYMP, ADA, DCTD ADA 2/4885ALDH1A1 2894/4885TP53 1002/4885
US-20040019232-A1 Analogs of phosphonate and bisphosphonate compounds based on bone resorption suppressors (alendronic acid), viricides (cidofovir) and antineoplastic agents (bemcitabine); nontoxic; bioavailability; side effects reduction BPGM, PPA1, INPP5D ADA 24/4885ALDH1A1 2714/4885TP53 1197/4885
US-20170239279-A1 PHOSPHONATE COMPOUNDS PHPT1, PHOSPHO1, PIK3CA ADA 445/4885ALDH1A1 3840/4885TP53 794/4885
US-20160067268-A1 PHOSPHONATE COMPOUNDS PHPT1, PHOSPHO1, PIK3CA ADA 445/4885ALDH1A1 3840/4885TP53 794/4885
US-20050192246-A1 Pharmacologically active agents containing esterified phosphonates and methods for use thereof PHPT1, PPIP5K2, PHOSPHO1 ADA 514/4885ALDH1A1 2150/4885TP53 1691/4885
US-20050182019-A1 An antiviral nucleoside in which the 5'-hydroxyl group has been substituted for a phosphonate or methyl phosphonate that is covalently linked to an alkylethanediol; osteoporosis; anticarcinogenic agents; viricides MTAP, SAMHD1, NT5C3B ADA 18/4885ALDH1A1 2883/4885TP53 480/4885

“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.