SCHEMBL709147

SCHEMBL709147

CN1CC[C@@H](NC(=O)OCc2ccccc2)[C@@H](C(=O)O)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.57
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
CTSB P07858 3/20 0.51
CTSK P43235 3/20 0.51
CTSL P07711 2/20 0.51
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
TSHR P16473 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CTSS P25774 2/20 0.46
DPP4 P27487 2/20 0.46
KCNH2 Q12809 2/20 0.46
DPP7 Q9UHL4 2/20 0.46
CASP3 P42574 3/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45

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
SCHEMBL23415531 0.86 CPB1 (0.54) CPB1ALDH1A1GAACTSBCTSK
SCHEMBL23415370 0.86 CPB1 (0.54) CPB1ALDH1A1GAACTSBCTSK
SCHEMBL2698668 0.85 CPB1 (0.51) CPB1ALDH1A1GAACTSBCTSK
SCHEMBL2699151 0.85 CPB1 (0.51) CPB1ALDH1A1GAACTSBCTSK
SCHEMBL21344554 0.84 CTSK (0.52) CPB1ALDH1A1GAACTSBCTSK
SCHEMBL2698300 0.84 CPB1 (0.50) CPB1ALDH1A1GAACTSBCTSK
SCHEMBL579214 0.83 CPB1 (0.72) CPB1ALDH1A1GAACTSBCTSK
SCHEMBL28516079 0.83 CPB1 (0.72) CPB1ALDH1A1GAACTSBCTSK
SCHEMBL3063260 0.83 CPB1 (0.72) CPB1ALDH1A1GAACTSBCTSK
SCHEMBL29046610 0.83 CPB1 (0.72) CPB1ALDH1A1GAACTSBCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK CPB1 1228/4885ALDH1A1 2130/4885GAA 455/4885

“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.