SCHEMBL708718

SCHEMBL708718

COC(=O)C1CN(C(=O)OC(C)(C)C)CCC1CCCO

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.42
EPHX1 P07099 1/20 0.40
NR1H2 P55055 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TACR1 P25103 1/20 0.39
HPGD P15428 1/20 0.39
FAAH O00519 1/20 0.38
RECQL P46063 1/20 0.37
PIK3CD O00329 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
GPR119 Q8TDV5 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
SCHEMBL705664 0.84 GPR119 (0.44) PDE4BEPHX1TACR1GPR119
SCHEMBL5133713 0.83 ALDH1A1 (0.35) ALDH1A1
SCHEMBL14893333 0.81 HPGD (0.44) EPHX1NR1H2ALDH1A1MEN1MAPT
SCHEMBL709070 0.81 PDE4B (0.42) PDE4BEPHX1NR1H2ALDH1A1MEN1
SCHEMBL14964702 0.80 PDE4B (0.49) PDE4BEPHX1ALDH1A1MEN1MAPT
SCHEMBL12320883 0.80 NR1H2 (0.43) EPHX1NR1H2ALDH1A1MEN1MAPT
SCHEMBL31153831 0.80 NR1H2 (0.46) PDE4BEPHX1NR1H2ALDH1A1MEN1
SCHEMBL8221976 0.79 PDE4B (0.48) PDE4BEPHX1ALDH1A1MEN1MAPT
SCHEMBL1445046 0.79 PDE4B (0.48) PDE4BEPHX1ALDH1A1MEN1MAPT
SCHEMBL13390607 0.79 PDE4B (0.48) PDE4BEPHX1ALDH1A1MEN1MAPT

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-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-05-03 US disclosed
US-8124602-B2 Compounds for the treatment of multi-drug resistant bacterial infections ASTRAZENECA AB (SE) 2012-02-28 US disclosed
US-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2011-04-21 US disclosed
EP-2289890-A1 Compounds for the treatment of multi-drug resistant bacterial infections AstraZeneca AB (SE) 2011-03-02 EP disclosed
US-7875715-B2 6-[({1-[2-(7-methoxy-2-oxoquinoxalin-1(2H)-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one; antibacteria; methicillin-resistant Staphylococcus aureus (MRSA), methicillin-resistant coagulase-negative staphylococci (MRCNS), penicillin-resistant Streptococcus pneumoniae ASTRAZENECA AB (SE) 2011-01-25 US disclosed
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 US disclosed
CN-101243068-A Compounds for the treatment of multi-drug resistant bacterial infections ASTRAZENECA AB (SE) 2008-08-13 CN 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 (3 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-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK PDE4B 3405/4885EPHX1 3429/4885NR1H2 3749/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK PDE4B 3405/4885EPHX1 3429/4885NR1H2 3749/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK PDE4B 3405/4885EPHX1 3429/4885NR1H2 3749/4885

“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.