SCHEMBL707701

SCHEMBL707701

CC(C)(C)OC(=O)NC1C2CN(CCOS(C)(=O)=O)CC21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
CTSK P43235 2/20 0.36
CCR5 P51681 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 1/20 0.34
DRD2 P14416 1/20 0.33
BTK Q06187 1/20 0.33
KCNA3 P22001 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
GAA P10253 1/20 0.33
EPHX1 P07099 1/20 0.32
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL621767 0.82 KCNA3 (0.51) CTSKCCR5CA1CA2DRD2
SCHEMBL3352854 0.78 CTSK (0.36) CTSKCCR5CA1CA2DRD2
SCHEMBL13387530 0.78 CTSK (0.36) CTSKCCR5CA1CA2DRD2
SCHEMBL3357087 0.78 CTSK (0.36) CTSKCCR5CA1CA2DRD2
SCHEMBL1525911 0.78 HRH3 (0.46) HRH3CTSKCCR5NFKB1NFKB2
SCHEMBL13016625 0.78 CTSK (0.42) HRH3CTSKNFKB1NFKB2RELA
SCHEMBL3383782 0.78 CTSK (0.36) CTSKCCR5DRD2KCNA3MAOA
SCHEMBL3383779 0.78 CTSK (0.36) CTSKCCR5DRD2KCNA3MAOA
SCHEMBL3352307 0.78 CTSK (0.36) CTSKCCR5DRD2KCNA3MAOA
SCHEMBL3354631 0.78 CTSK (0.36) CTSKCCR5DRD2KCNA3MAOA

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 6 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

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 HRH3 696/4885CTSK 219/4885CCR5 2739/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK HRH3 696/4885CTSK 219/4885CCR5 2739/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK HRH3 696/4885CTSK 219/4885CCR5 2739/4885

“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.