SCHEMBL1357442

SCHEMBL1357442

COC(=O)c1c(OCc2ccccc2)c(=O)ccn1CC(OC)OC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 1/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.41
GAA P10253 2/20 0.40
MAPK14 Q16539 1/20 0.37

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
SCHEMBL1358153 0.91 HTT (0.52) HTTHPGDSMN1; SMN2ALDH1A1MEN1
SCHEMBL12239944 0.90 HTT (0.49) HTTHPGDSMN1; SMN2ALDH1A1MEN1
SCHEMBL12239935 0.90 ALDH1A1 (0.49) HTTHPGDSMN1; SMN2ALDH1A1MEN1
SCHEMBL1842254 0.90 ALDH1A1 (0.51) HTTHPGDSMN1; SMN2ALDH1A1MEN1
SCHEMBL12397455 0.89 ALDH1A1 (0.50) HTTHPGDSMN1; SMN2ALDH1A1MEN1
SCHEMBL12397453 0.87 ALDH1A1 (0.48) HTTHPGDSMN1; SMN2ALDH1A1MEN1
SCHEMBL1357175 0.87 ALDH1A1 (0.48) HTTHPGDSMN1; SMN2ALDH1A1MEN1
SCHEMBL18473879 0.83 HPGD (0.45) HTTHPGDSMN1; SMN2ALDH1A1MEN1
SCHEMBL21120818 0.82 LMNA (0.44) HPGDALDH1A1LMNAUSP2TSHR
SCHEMBL1358481 0.82 HPGD (0.44) HTTHPGDSMN1; SMN2ALDH1A1MEN1

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 43 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
US-20200339565-A1 PRODRUG SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2020-10-29 US 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-20190248785-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2019-08-15 US disclosed
US-10335394-B2 Processes for preparing dolutegravir and cabotegravir and analogues thereof LEK PHARMACEUTICALS D.D. (SI) 2019-07-02 US 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-10202379-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2019-02-12 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
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2017-12-07 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-20120184734-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-07-19 US disclosed
US-20120022251-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2012-01-26 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-2376453-A1 PROCESSES AND INTERMEDIATES FOR CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS GlaxoSmithKline LLC (US) 2011-10-19 EP disclosed
EP-2376080-A1 SYNTHESIS OF CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS AND INTERMEDIATES Shionogi&Co., Ltd. (JP) 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 (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-20120022251-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES PNPO, PDXK, CYP3A5 HTT 3043/4885HPGD 102/4885SMN1; SMN2 4496/4885
US-20120184734-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 HTT 3046/4885HPGD 1534/4885SMN1; SMN2 4520/4885
US-10335394-B2 Processes for preparing dolutegravir and cabotegravir and analogues thereof SAMHD1, TYMP, DUT HTT 4725/4885HPGD 1165/4885SMN1; SMN2 3336/4885
US-20190248785-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 HTT 4328/4885HPGD 681/4885SMN1; SMN2 4304/4885
US-20110263855-A1 PROCESSES AND INTERMEDIATES FOR CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS INTS6, IDH1, OPRM1 HTT 3454/4885HPGD 1093/4885SMN1; SMN2 4105/4885
US-10301321-B2 Process for the preparation of dolutegravir and pharmaceutically acceptable salts thereof CYP3A5, CYP3A43, CYP3A4 HTT 4537/4885HPGD 706/4885SMN1; SMN2 2638/4885
US-20110282055-A1 SYNTHESIS OF CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS AND INTERMEDIATES CDK2, CDK6, BRD4 HTT 3980/4885HPGD 1839/4885SMN1; SMN2 4684/4885
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 HTT 4328/4885HPGD 681/4885SMN1; SMN2 4304/4885
US-20180155364-A1 NOVEL PROCESS FOR THE PREPARATION OF DOLUTEGRAVIR AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF CYP3A5, SAMHD1, CYP3A43 HTT 4668/4885HPGD 1115/4885SMN1; SMN2 3229/4885
US-20200339565-A1 PRODRUG SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PREP, UNG, DPP4 HTT 4361/4885HPGD 599/4885SMN1; SMN2 4365/4885
US-10202379-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug PREP, UNG, DPP4 HTT 4328/4885HPGD 681/4885SMN1; SMN2 4304/4885
US-20140005405-A1 PROCESSES AND INTERMEDIATES FOR CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS INTS6, IDH1, OPRM1 HTT 3539/4885HPGD 832/4885SMN1; SMN2 4019/4885

“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.