SCHEMBL15064604

SCHEMBL15064604

COC(=O)c1cn(CC(OC)OC)c(C(=O)OC)c(OC)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.38
NR4A2 P43354 1/20 0.36
GAA P10253 1/20 0.35
KDM4E B2RXH2 4/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 5/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HPGD P15428 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
ALOX12 P18054 1/20 0.33
THRB P10828 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TOP1 P11387 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL16447915 0.99 BRD4 (0.37) BRD4NR4A2GAAKDM4EPOLB
SCHEMBL18567026 0.93 HTT (0.35) BRD4NR4A2GAAKDM4EPOLB
SCHEMBL15084354 0.92 BRD4 (0.36) BRD4NR4A2GAAKDM4EPOLB
SCHEMBL2415069 0.92 KDM4E (0.38) BRD4NR4A2GAAKDM4EPOLB
SCHEMBL17967309 0.91 PDE3B (0.33) BRD4NR4A2GAAKDM4EPOLB
SCHEMBL19755582 0.88 BRD4 (0.37) BRD4NR4A2GAAKDM4EPOLB
SCHEMBL19245942 0.87 BRD4 (0.39) BRD4NR4A2GAAKDM4EPOLB
SCHEMBL15015205 0.85 BRD4 (0.36) BRD4NR4A2GAAKDM4EALDH1A1
SCHEMBL21284549 0.83 ALDH1A1 (0.31) POLBALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL18473879 0.82 HPGD (0.45) BRD4NR4A2GAAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116003435-A Efficient green preparation method of dolutegravir 河南师范大学 2023-04-25 CN claimed
CN-115746022-A Preparation method and application of caspovir derivative 河南科技大学 2023-03-07 CN claimed
US-20190106435-A1 PROCESS FOR PREPARING CARBAMOYLPYRIDONE DERIVATIVES AND INTERMEDIATES VIIV HEALTHCARE COMPANY 2019-04-11 US claimed
EP-3260457-A1 PROCESS FOR PREPARING CARBAMOYLPYRIDONE DERIVATIVES AND INTERMEDIATES VIIV Healthcare Company (US) 2017-12-27 EP claimed
EP-2549870-B1 PROCESS FOR PREPARING CARBAMOYLPYRIDONE DERIVATIVES AND INTERMEDIATES VIIV HEALTHCARE CO (US) 2017-04-19 EP claimed
US-20130172551-A1 Process for Preparing Carbamolypyridone Derivatives and Intermediates VIIV HEALTHCARE COMPANY 2013-07-04 US claimed
CN-116496296-A Dolutegravir derivative with anti-tumor function and preparation method thereof 河南师范大学 2023-07-28 CN disclosed
US-10730888-B2 Process for the preparation of dolutegravir MYLAN LABORATORIES LIMITED (IN) 2020-08-04 US disclosed
US-10730888-B2 Process for the preparation of dolutegravir MYLAN LABORATORIES LIMITED (IN) 2020-08-04 US disclosed
US-10696636-B2 Process for the preparation of HIV integrase inhibitors LUPIN LIMITED (IN) 2020-06-30 US disclosed
US-20200172487-A1 PROCESS FOR THE PREPARATION OF HIV INTEGRASE INHIBITORS LUPIN MANUFACTURING SOLUTIONS LIMITED (IN) 2020-06-04 US disclosed
US-10654871-B2 Process for preparing (3S,11aR)-N-(2,4-difluorobenzyl)-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide VIIV HEALTHCARE COMPANY (US) 2020-05-19 US disclosed
CN-107531614-B Preparation method of delogevir 迈兰实验室有限公司 2020-04-10 CN disclosed
US-9573965-B2 Process for the preparation of Dolutegravir AUROBINDO PHARMA LTD (IN) 2017-02-21 US disclosed
WO-2016125192-A2 PROCESS FOR THE PREPARATION OF DOLUTEGRAVIR MYLAN LABORATORIES LIMITED (IN) 2016-08-11 WO disclosed
WO-2016125192-A2 PROCESS FOR THE PREPARATION OF DOLUTEGRAVIR MYLAN LABORATORIES LIMITED (IN) 2016-08-11 WO disclosed
WO-2016113372-A1 PROCESSES FOR PREPARING DOLUTEGRAVIR AND CABOTEGRAVIR AND ANALOGUES THEREOF LEK PHARMACEUTICALS D.D. (SI) 2016-07-21 WO disclosed
EP-3045461-A1 Processes for preparing dolutegravir and analogues thereof LEK Pharmaceuticals d.d. (SI) 2016-07-20 EP disclosed
WO-2015019310-A1 PROCESS FOR THE PREPARATION OF DOLUTE-GRAVIR AND INTERMEDIATES THEREOF MYLAN LABORATORIES LTD (IN) 2015-02-12 WO disclosed
WO-2015019310-A1 PROCESS FOR THE PREPARATION OF DOLUTE-GRAVIR AND INTERMEDIATES THEREOF MYLAN LABORATORIES LTD (IN) 2015-02-12 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 (6 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-10696636-B2 Process for the preparation of HIV integrase inhibitors XDH, APOBEC3C, APOBEC3G BRD4 2354/4885NR4A2 2246/4885GAA 1712/4885
US-10730888-B2 Process for the preparation of dolutegravir SAMHD1, TYMP, DUT BRD4 3777/4885NR4A2 4458/4885GAA 667/4885
US-20190106435-A1 PROCESS FOR PREPARING CARBAMOYLPYRIDONE DERIVATIVES AND INTERMEDIATES CPS1, CYP3A4, SDHA BRD4 620/4885NR4A2 2883/4885GAA 1770/4885
US-20200172487-A1 PROCESS FOR THE PREPARATION OF HIV INTEGRASE INHIBITORS XDH, APOBEC3C, APOBEC3G BRD4 2354/4885NR4A2 2246/4885GAA 1712/4885
US-20130172551-A1 Process for Preparing Carbamolypyridone Derivatives and Intermediates CPS1, CYP3A4, DHPS BRD4 341/4885NR4A2 2590/4885GAA 3024/4885
US-10654871-B2 Process for preparing (3S,11aR)-N-(2,4-difluorobenzyl)-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide CYP4B1, CYP2F1, CYP4F11 BRD4 1652/4885NR4A2 1684/4885GAA 2435/4885

“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.