SCHEMBL2408704

SCHEMBL2408704

COCC(=O)/C(=C\N(C)C)C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
CYP2C9 P11712 1/20 0.33
MEN1 O00255 2/20 0.32
GAA P10253 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.31
APP P05067 1/20 0.30
POLB P06746 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL262792 1.00 MAPT (0.35) MAPTCYP2C9MEN1GAAKMT2A
SCHEMBL262793 1.00 MAPT (0.35) MAPTCYP2C9MEN1GAAKMT2A
SCHEMBL24075149 0.84 MAPT (0.32) MAPT
SCHEMBL2393543 0.84 CYP2C9 (0.37) MAPTCYP2C9
SCHEMBL2393548 0.84 CYP2C9 (0.37) MAPTCYP2C9
SCHEMBL29267513 0.84 CYP2C9 (0.47) MAPTCYP2C9MEN1GAAKMT2A
SCHEMBL12997966 0.82 CYP2C9 (0.30) CYP2C9
SCHEMBL15082131 0.82 GLO1 (0.31) CYP2C9
SCHEMBL1902373 0.82 CYP2C9 (0.37) MAPTCYP2C9MEN1GAAKMT2A
SCHEMBL1902370 0.82 CYP2C9 (0.37) MAPTCYP2C9MEN1GAAKMT2A

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
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
EP-2549870-A1 PROCESS FOR PREPARING CARBAMOYLPYRIDONE DERIVATIVES AND INTERMEDIATES VIIV Healthcare Company (US) 2013-01-30 EP claimed
WO-2011119566-A1 PROCESS FOR PREPARING CARBAMOYLPYRIDONE DERIVATIVES AND INTERMEDIATES GLAXOSMITHKLINE LLC (US) 2011-09-29 WO claimed
US-11352356-B2 Inhibitors of plasma kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-06-07 US disclosed
EP-3260457-B1 PROCESS FOR PREPARING CARBAMOYLPYRIDONE DERIVATIVES AND INTERMEDIATES VIIV HEALTHCARE CO (US) 2020-12-02 EP disclosed
US-20200317667-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. 2020-10-08 US disclosed
US-10730888-B2 Process for the preparation of dolutegravir MYLAN LABORATORIES LIMITED (IN) 2020-08-04 US disclosed
US-10730874-B2 Inhibitors of plasma kallikrein and uses thereof SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2020-08-04 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
US-10654870-B2 Process for preparing substituted pyridinones as intermediates in the preparation of polycyclic carbamoylpyridone derivatives VIIV HEALTHCARE COMPANY (US) 2020-05-19 US disclosed
US-8383622-B2 Nitrogen-containing heterocyclic derivative having 11β-hydroxysteroid dehydrogenase type I inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-02-26 US disclosed
US-8383622-B2 Nitrogen-containing heterocyclic derivative having 11β-hydroxysteroid dehydrogenase type I inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-02-26 US disclosed
EP-2549870-A1 PROCESS FOR PREPARING CARBAMOYLPYRIDONE DERIVATIVES AND INTERMEDIATES VIIV Healthcare Company (US) 2013-01-30 EP disclosed
WO-2011119566-A1 PROCESS FOR PREPARING CARBAMOYLPYRIDONE DERIVATIVES AND INTERMEDIATES GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
US-20100240659-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE HAVING 11SS-HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-09-23 US disclosed
US-20100240659-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE HAVING 11SS-HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-09-23 US disclosed
EP-2163543-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE HAVING 11 BETA-HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORY ACTIVITY Shionogi&Co., Ltd. (JP) 2010-03-17 EP 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-11352356-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 MAPT 2953/4885CYP2C9 2250/4885MEN1 686/4885
US-10730888-B2 Process for the preparation of dolutegravir SAMHD1, TYMP, DUT MAPT 3244/4885CYP2C9 17/4885MEN1 4326/4885
US-20100240659-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE HAVING 11SS-HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORY ACTIVITY HSD11B1, HSD3B1, SRD5A1 MAPT 4629/4885CYP2C9 168/4885MEN1 1843/4885
US-20190106435-A1 PROCESS FOR PREPARING CARBAMOYLPYRIDONE DERIVATIVES AND INTERMEDIATES CPS1, CYP3A4, SDHA MAPT 1809/4885CYP2C9 16/4885MEN1 2263/4885
US-20130172551-A1 Process for Preparing Carbamolypyridone Derivatives and Intermediates CPS1, CYP3A4, DHPS MAPT 1249/4885CYP2C9 130/4885MEN1 2945/4885
US-10730874-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 MAPT 2953/4885CYP2C9 2250/4885MEN1 686/4885
US-20200317667-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 MAPT 2953/4885CYP2C9 2250/4885MEN1 686/4885
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 MAPT 4122/4885CYP2C9 16/4885MEN1 2312/4885
US-10654870-B2 Process for preparing substituted pyridinones as intermediates in the preparation of polycyclic carbamoylpyridone derivatives CYP3A4, CYP2B6, CYP4B1 MAPT 3876/4885CYP2C9 25/4885MEN1 1113/4885

“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.