SCHEMBL704705

SCHEMBL704705

COC(=O)[C@H]1CN(CCCl)CC[C@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.61
CTSB P07858 3/20 0.45
CTSK P43235 3/20 0.45
CTSL P07711 2/20 0.45
LTA4H P09960 1/20 0.45
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.42
CTSS P25774 2/20 0.42
TGM2 P21980 1/20 0.41

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
SCHEMBL709053 0.91 CPB1 (0.62) CPB1CTSBCTSKCTSLLTA4H
SCHEMBL706633 0.91 CPB1 (0.62) CPB1CTSBCTSKCTSLLTA4H
SCHEMBL2698300 0.91 CPB1 (0.50) CPB1CTSBCTSKCTSLALDH1A1
SCHEMBL708006 0.85 CPB1 (0.56) CPB1CTSBCTSKCTSLLTA4H
SCHEMBL2699151 0.81 CPB1 (0.51) CPB1CTSBCTSKCTSLALDH1A1
SCHEMBL2698668 0.81 CPB1 (0.51) CPB1CTSBCTSKCTSLALDH1A1
SCHEMBL23089809 0.80 CPB1 (0.90) CPB1CTSBCTSKCTSLCYP2C9
SCHEMBL12193443 0.80 CPB1 (0.90) CPB1CTSBCTSKCTSLCYP2C9
SCHEMBL2497897 0.80 CPB1 (0.90) CPB1CTSBCTSKCTSLCYP2C9
SCHEMBL30059391 0.80 CPB1 (0.90) CPB1CTSBCTSKCTSLCYP2C9

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 1228/4885CTSB 308/4885CTSK 219/4885

“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.