SCHEMBL704762

SCHEMBL704762

COC(=O)[C@H]1CN(CCn2c(=O)ccc3c(F)cc(F)cc32)CC[C@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.49
SLC18A2 Q05940 6/20 0.39
SLC6A3 Q01959 3/20 0.39
HTR2A P28223 2/20 0.39
CTSB P07858 2/20 0.37
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
ACKR3 P25106 1/20 0.37
CTSL P07711 1/20 0.37
CASP3 P42574 3/20 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
SCHEMBL703729 1.00 CPB1 (0.49) CPB1SLC18A2SLC6A3HTR2ACTSB
SCHEMBL2696554 0.93 CPB1 (0.41) CPB1SLC18A2SLC6A3HTR2ACTSB
SCHEMBL2699307 0.93 CPB1 (0.41) CPB1SLC18A2SLC6A3HTR2ACTSB
SCHEMBL704763 0.81 CPB1 (0.38) CPB1CTSBCTSSCTSKCTSL
SCHEMBL703730 0.81 CPB1 (0.38) CPB1CTSBCTSSCTSKCTSL
SCHEMBL708057 0.80 SSTR2 (0.36) SLC18A2SLC6A3HTR2A
SCHEMBL708863 0.80 SSTR2 (0.36) SLC18A2SLC6A3HTR2A
SCHEMBL709053 0.78 CPB1 (0.62) CPB1CTSBCTSSCTSKCTSL
SCHEMBL706633 0.78 CPB1 (0.62) CPB1CTSBCTSSCTSKCTSL
SCHEMBL708058 0.78 ACKR3 (0.35) SLC18A2SLC6A3HTR2AACKR3

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 1228/4885SLC18A2 4821/4885SLC6A3 4368/4885

“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.