SCHEMBL335203

SCHEMBL335203

COC(=O)c1cnc(C)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
KDM4E B2RXH2 4/20 0.51
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
PSMD14 O00487 1/20 0.45
CYP2A6 P11509 1/20 0.45
ALDH1A1 P00352 3/20 0.44
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 1/20 0.43
XDH P47989 2/20 0.42
POLB P06746 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL19266144 0.84 ATM (0.50) ATMKDM4EMAPK1L3MBTL1PSMD14
SCHEMBL17703486 0.83 KDM4E (0.55) ATMKDM4EMAPK1L3MBTL1PSMD14
SCHEMBL719767 0.83 ATM (0.53) ATMKDM4EMAPK1L3MBTL1PSMD14
SCHEMBL31681411 0.83 ATM (0.53) ATMKDM4EMAPK1L3MBTL1PSMD14
SCHEMBL335911 0.81 MAPK1 (0.51) ATMKDM4EMAPK1L3MBTL1PSMD14
SCHEMBL487335 0.81 ATM (0.51) ATMKDM4EMAPK1L3MBTL1PSMD14
SCHEMBL18348293 0.81 ATM (0.51) ATMKDM4EMAPK1L3MBTL1PSMD14
SCHEMBL336046 0.81 ATM (0.51) ATMKDM4EMAPK1L3MBTL1PSMD14
SCHEMBL4390565 0.81 ATM (0.51) ATMKDM4EMAPK1L3MBTL1PSMD14
SCHEMBL16421752 0.81 ATM (0.51) ATMKDM4EMAPK1L3MBTL1PSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107827871-B preparation method of omeprazole metabolite 梯尔希(南京)药物研发有限公司 2019-12-06 CN claimed
CN-107827871-A A kind of preparation method of Determination of Omeprazole Metabolites in Human 梯尔希(南京)药物研发有限公司 2018-03-23 CN claimed
WO-2020233676-A1 AMIDE-SUBSTITUTED IMIDAZO COMPOUNDS AS SELECTIVE INHIBITORS OF INDOLEAMINE 2, 3-DIOXYGENASES BEIGENE, LTD. (KY) 2020-11-26 WO disclosed
CN-107001342-B Novel compounds 葛兰素史密斯克莱知识产权发展有限公司 2020-02-07 CN disclosed
CN-107827871-B preparation method of omeprazole metabolite 梯尔希(南京)药物研发有限公司 2019-12-06 CN disclosed
CN-107827871-B preparation method of omeprazole metabolite 梯尔希(南京)药物研发有限公司 2019-12-06 CN disclosed
EP-3148987-B1 PIPERAZINE DERIVATIVES AS ROR-GAMMA MODULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2019-01-02 EP disclosed
EP-3148987-B1 PIPERAZINE DERIVATIVES AS ROR-GAMMA MODULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2019-01-02 EP disclosed
CN-107827871-A A kind of preparation method of Determination of Omeprazole Metabolites in Human 梯尔希(南京)药物研发有限公司 2018-03-23 CN disclosed
US-9902715-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-02-27 US disclosed
US-9902715-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-02-27 US disclosed
EP-2300476-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS Glaxo Group Limited (GB) 2011-03-30 EP disclosed
EP-2238135-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS Glaxo Group Limited (GB) 2010-10-13 EP disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
WO-2009141398-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 WO disclosed
WO-2009141398-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 WO disclosed
WO-2009090222-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-07-23 WO disclosed
WO-2009090222-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-07-23 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 (1 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-20090306089-A1 COMPOUNDS SDHA, NQO1, SDHB ATM 2909/4885KDM4E 4508/4885MAPK1 3070/4885

“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.