SCHEMBL15084306

SCHEMBL15084306

COc1c(C(=O)O)n(CC=O)cc(C(=O)O)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
CHRM1 P11229 2/20 0.41
LMNA P02545 5/20 0.36
MEN1 O00255 1/20 0.34
ABCC4 O15439 1/20 0.34
PKM P14618 1/20 0.34
PTGS1 P23219 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
APEX1 P27695 1/20 0.33
MAPT P10636 1/20 0.33
CASP1 P29466 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
SCHEMBL16239239 0.91 RAB9A (0.41) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL15084366 0.80 HSD17B10 (0.40) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL17967300 0.79 KMT2A (0.41) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL25663232 0.79 NR4A2 (0.34) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL17928514 0.76 TSHR (0.39) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL15913967 0.75 RAB9A (0.39) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL19755569 0.75 LMNA (0.44) HSD17B10ALDH1A1HPGDTSHRCHRM1
SCHEMBL85857 0.73 PDE10A (0.48) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL21120535 0.73 HSD17B10 (0.38) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL18530919 0.72 TSHR (0.39) KDM4EHSD17B10ALDH1A1HPGDTSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204117-A1 PROCESS FOR PREPARING (4R,12aS)-N-(2,4-DIFLUOROBENZYL)-7-METHOXY-4-METHYL-6,8-DIOXO-3,4,6,8,12,- 12A-HEXAHYDRO-2H-PYRIDO[1',2':4,5]PYRAZINO[2,1-b][1,3]OXAZINE-9-CARBOXAMIDE VIIV HEALTHCARE COMPANY 2017-07-20 US disclosed
US-9643981-B2 Process for preparing (4R,12aS)-N-(2,4-difluorobenzyl)-7-methoxy-4-methyl-6,8-dioxo-3,4,6,8,12,12A-hexahydro-2H-pyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide VIIV HEALTHCARE COMPANY (US) 2017-05-09 US disclosed
US-20150329559-A1 PROCESS FOR PREPARING (4R,12aS)-N-(2,4-DIFLUOROBENZYL)-7-METHOXY-4-METHYL-6,8-DIOXO-3,4,6,8,12,12A-HEXAHYDRO-2H-PYRIDO[1',2':4,5]PYRAZINO[2,1-b][1,3]OXAZINE-9-CARBOXAMIDE VIIV HEALTHCARE COMPANY 2015-11-19 US disclosed
US-9120817-B2 Process for preparing (4R,12aS)-7-methoxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1′ ,2′:4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic acid VIIV HEALTHCARE COMPANY (US) 2015-09-01 US disclosed
US-20150057444-A1 Process for Preparing Pyridinone Carboxylic Acid Aldehydes VIIV HEALTHCARE CO (US) 2015-02-26 US disclosed
US-8889877-B2 Processes for preparing pyridinone carboxylic acid aldehydes VIIV HEALTHCARE COMPANY (US) 2014-11-18 US disclosed
US-20130172551-A1 Process for Preparing Carbamolypyridone Derivatives and Intermediates VIIV HEALTHCARE COMPANY 2013-07-04 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 (4 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-20150329559-A1 PROCESS FOR PREPARING (4R,12aS)-N-(2,4-DIFLUOROBENZYL)-7-METHOXY-4-METHYL-6,8-DIOXO-3,4,6,8,12,12A-HEXAHYDRO-2H-PYRIDO[1',2':4,5]PYRAZINO[2,1-b][1,3]OXAZINE-9-CARBOXAMIDE CYP4B1, CYP4X1, CYP4F12 KDM4E 113/4885HSD17B10 2623/4885ALDH1A1 153/4885
US-20170204117-A1 PROCESS FOR PREPARING (4R,12aS)-N-(2,4-DIFLUOROBENZYL)-7-METHOXY-4-METHYL-6,8-DIOXO-3,4,6,8,12,- 12A-HEXAHYDRO-2H-PYRIDO[1',2':4,5]PYRAZINO[2,1-b][1,3]OXAZINE-9-CARBOXAMIDE CYP4B1, CYP4F12, CYP4X1 KDM4E 44/4885HSD17B10 2360/4885ALDH1A1 186/4885
US-20130172551-A1 Process for Preparing Carbamolypyridone Derivatives and Intermediates CPS1, CYP3A4, DHPS KDM4E 633/4885HSD17B10 1957/4885ALDH1A1 2141/4885
US-20150057444-A1 Process for Preparing Pyridinone Carboxylic Acid Aldehydes PLPBP, SDHA, DPYD KDM4E 1313/4885HSD17B10 625/4885ALDH1A1 26/4885

“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.