SCHEMBL133831

SCHEMBL133831

CCCCCCCCCCCCCCCC(CCBr)OCC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.36
LMNA P02545 1/20 0.35
DNM1 Q05193 3/20 0.35
LCK P06239 1/20 0.35
PPARD Q03181 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
PLA2G1B P04054 1/20 0.34
PLA2G2A P14555 1/20 0.34
FAAH O00519 3/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
SMPD1 P17405 3/20 0.33
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33
GPR84 Q9NQS5 1/20 0.32

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
SCHEMBL4655597 0.89 OPRM1 (0.46) OPRM1LMNADNM1SMPD1TSHR
SCHEMBL20225052 0.89 OPRM1 (0.46) OPRM1LMNADNM1SMPD1TSHR
SCHEMBL28995100 0.89 OPRM1 (0.46) OPRM1LMNADNM1SMPD1TSHR
SCHEMBL4557947 0.89 OPRM1 (0.46) OPRM1LMNADNM1SMPD1TSHR
SCHEMBL4263417 0.89 OPRM1 (0.46) OPRM1LMNADNM1SMPD1TSHR
SCHEMBL23270390 0.89 OPRM1 (0.46) OPRM1LMNADNM1SMPD1TSHR
SCHEMBL6554404 0.89 OPRM1 (0.46) OPRM1LMNADNM1SMPD1TSHR
SCHEMBL10045699 0.89 OPRM1 (0.46) OPRM1LMNADNM1SMPD1TSHR
SCHEMBL28744275 0.89 OPRM1 (0.46) OPRM1LMNADNM1SMPD1TSHR
SCHEMBL724923 0.89 OPRM1 (0.46) OPRM1LMNADNM1SMPD1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10071110-B2 Phosphonate compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-09-11 US disclosed
US-20170333459-A1 METHODS OF TREATING ORTHOPOX VIRUS INFECTIONS AND ASSOCIATED DISEASES CHIMERIX, INC. 2017-11-23 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-20150141375-A1 Methods of Treating Viral Associated Diseases CHIMERIX, INC. 2015-05-21 US disclosed
EP-2842559-A2 Compounds, compositions and methods for the treatment of viral infections and other medical disorders Chimerix, Inc. (US) 2015-03-04 EP 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-20070003608-A1 Compounds, compositions and methods for the treatment of viral infections and other medical disorders CHIMERIX, INC. 2007-01-04 US disclosed
US-20060281706-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 2006-12-14 US disclosed
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 disclosed
US-7094772-B2 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 (US) 2006-08-22 US disclosed
US-7034014-B2 New derivatives of cidofovir, adefovir, cyclic cidofovir or tenofovir made by forming phosphonate ester with an alcohol such as alkylglycerol, alkylpropanediol, 1-S-alkylthioglycerol, alkoxyalkanol or alkylethanediol; e.g. 1-O-octadecylpropanediol-3-cidofovir; side effect reduction, less toxic; antiviral THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-04-25 US disclosed
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 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
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

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-20150051174-A1 Phosphonate Compounds PHPT1, PHOSPHO1, PIK3CA OPRM1 4237/4885ZDHHC7 2654/4885LMNA 2747/4885
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 OPRM1 4565/4885ZDHHC7 3347/4885LMNA 2121/4885
US-10071110-B2 Phosphonate compounds PHPT1, PHOSPHO1, PIK3CA OPRM1 4237/4885ZDHHC7 2654/4885LMNA 2747/4885
US-20060281706-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 OPRM1 3113/4885ZDHHC7 2245/4885LMNA 3566/4885
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 OPRM1 3113/4885ZDHHC7 2245/4885LMNA 3566/4885
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 OPRM1 4036/4885ZDHHC7 3348/4885LMNA 3308/4885
US-20170239279-A1 PHOSPHONATE COMPOUNDS PHPT1, PHOSPHO1, PIK3CA OPRM1 4237/4885ZDHHC7 2654/4885LMNA 2747/4885
US-20160067268-A1 PHOSPHONATE COMPOUNDS PHPT1, PHOSPHO1, PIK3CA OPRM1 4237/4885ZDHHC7 2654/4885LMNA 2747/4885
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 OPRM1 2574/4885ZDHHC7 680/4885LMNA 1745/4885
US-20170333459-A1 METHODS OF TREATING ORTHOPOX VIRUS INFECTIONS AND ASSOCIATED DISEASES OAT, PNPO, OTC OPRM1 3311/4885ZDHHC7 2771/4885LMNA 4178/4885
US-20070003608-A1 Compounds, compositions and methods for the treatment of viral infections and other medical disorders ACE, CYP27A1, LIPC OPRM1 1401/4885ZDHHC7 489/4885LMNA 2125/4885
US-20150141375-A1 Methods of Treating Viral Associated Diseases HAVCR2, EIF2AK2, TSLP OPRM1 4250/4885ZDHHC7 713/4885LMNA 3859/4885

“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.