SCHEMBL1358481

SCHEMBL1358481

COC(=O)c1c(OCc2ccccc2)c(=O)c(Br)cn1CC(OC)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
MAPK8 P45983 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
ABCB1 P08183 1/20 0.37
NOTUM Q6P988 1/20 0.36
SMPD1 P17405 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL12239943 0.90 LMNA (0.44) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL1358172 0.90 LMNA (0.44) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL1357148 0.90 LMNA (0.45) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL12239928 0.89 LMNA (0.44) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL18473879 0.88 HPGD (0.45) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL1359711 0.87 LMNA (0.43) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL21120818 0.87 LMNA (0.44) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL12239941 0.85 HPGD (0.44) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL16402271 0.83 TSHR (0.46) HPGDLMNAALDH1A1USP2TSHR
SCHEMBL1357442 0.82 HTT (0.50) HPGDLMNAALDH1A1USP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3617194-B1 PROCESSES AND INTERMEDIATES FOR CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2023-11-08 EP disclosed
EP-3617194-A1 PROCESSES AND INTERMEDIATES FOR CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS VIIV Healthcare Company (US) 2020-03-04 EP disclosed
EP-2376453-B1 INTERMEDIATES FOR CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2019-11-20 EP disclosed
US-10301321-B2 Process for the preparation of dolutegravir and pharmaceutically acceptable salts thereof LAURUS LABS LIMITED (IN) 2019-05-28 US disclosed
US-20180155364-A1 NOVEL PROCESS FOR THE PREPARATION OF DOLUTEGRAVIR AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LAURUS LABS LIMITED (IN) 2018-06-07 US disclosed
EP-2376080-B1 SYNTHESIS OF CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS AND INTERMEDIATES SHIONOGI & CO (JP) 2017-09-13 EP disclosed
EP-3210603-A1 SYNTHESIS OF CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS AND INTERMEDIATES SHIONOGI & CO., LTD (JP) 2017-08-30 EP disclosed
US-9365587-B2 Synthesis of carbamoylpyridone HIV integrase inhibitors and intermediates SHIONOGI & CO., LTD. (JP) 2016-06-14 US disclosed
US-20160060274-A1 SYNTHESIS OF CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS AND INTERMEDIATES VIIV HEALTHCARE COMPANY (US) 2016-03-03 US disclosed
US-9242986-B2 Synthesis of carbamoylpyridone HIV integrase inhibitors and intermediates SHIONOGI & CO., LTD. (JP) 2016-01-26 US disclosed
US-8669362-B2 Processes and Intermediates for carbamoylpyridone HIV integrase inhibitors SHIONGI & CO., LTD. (JP) 2014-03-11 US disclosed
US-8624023-B2 Synthesis of carbamoylpyridone HIV integrase inhibitors and intermediates SHIONOGI & CO., LTD. (JP) 2014-01-07 US disclosed
US-20140005405-A1 PROCESSES AND INTERMEDIATES FOR CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS VIIV HEALTHCARE COMPANY (US) 2014-01-02 US disclosed
US-8552187-B2 Processes and intermediates for carbamoylpyridone HIV integrase inhibitors SHIONOGI & CO., LTD. (JP) 2013-10-08 US disclosed
US-20110282055-A1 SYNTHESIS OF CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS AND INTERMEDIATES VIIV HEALTHCARE COMPANY 2011-11-17 US disclosed
US-20110263855-A1 PROCESSES AND INTERMEDIATES FOR CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2011-10-27 US disclosed
EP-2376080-A1 SYNTHESIS OF CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS AND INTERMEDIATES Shionogi&Co., Ltd. (JP) 2011-10-19 EP disclosed
EP-2376453-A1 PROCESSES AND INTERMEDIATES FOR CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS GlaxoSmithKline LLC (US) 2011-10-19 EP disclosed
WO-2010068262-A1 PROCESSES AND INTERMEDIATES FOR CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2010-06-17 WO disclosed
WO-2010068253-A1 SYNTHESIS OF CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS AND INTERMEDIATES SHIONOGI & CO., LTD. (JP) 2010-06-17 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-20110263855-A1 PROCESSES AND INTERMEDIATES FOR CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS INTS6, IDH1, OPRM1 HPGD 1093/4885LMNA 3139/4885ALDH1A1 293/4885
US-10301321-B2 Process for the preparation of dolutegravir and pharmaceutically acceptable salts thereof CYP3A5, CYP3A43, CYP3A4 HPGD 706/4885LMNA 2611/4885ALDH1A1 1691/4885
US-20110282055-A1 SYNTHESIS OF CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS AND INTERMEDIATES CDK2, CDK6, BRD4 HPGD 1839/4885LMNA 2423/4885ALDH1A1 1510/4885
US-20180155364-A1 NOVEL PROCESS FOR THE PREPARATION OF DOLUTEGRAVIR AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF CYP3A5, SAMHD1, CYP3A43 HPGD 1115/4885LMNA 3050/4885ALDH1A1 1838/4885
US-20140005405-A1 PROCESSES AND INTERMEDIATES FOR CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS INTS6, IDH1, OPRM1 HPGD 832/4885LMNA 3599/4885ALDH1A1 224/4885
US-20160060274-A1 SYNTHESIS OF CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS AND INTERMEDIATES IL2, QPCT, IL4I1 HPGD 1265/4885LMNA 1106/4885ALDH1A1 1033/4885

“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.