SCHEMBL708007

SCHEMBL708007

CC1[C@H](C(=O)O)[C@H](NC(=O)OCc2ccccc2)CCN1CCOS(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
CPB1 P15086 2/20 0.42
CTSB P07858 3/20 0.40
CTSK P43235 3/20 0.40
CTSL P07711 2/20 0.40
F13A1 P00488 4/20 0.40
TGM2 P21980 4/20 0.40
TGM1 P22735 4/20 0.40
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSS P25774 2/20 0.38
TGM6 O95932 1/20 0.38
DPP4 P27487 1/20 0.38
KCNH2 Q12809 1/20 0.38
DPP7 Q9UHL4 1/20 0.38

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
SCHEMBL709054 0.86 ALDH1A1 (0.47) ALDH1A1GAACPB1CTSBCTSK
SCHEMBL706634 0.86 ALDH1A1 (0.47) ALDH1A1GAACPB1CTSBCTSK
SCHEMBL704706 0.85 ALDH1A1 (0.46) ALDH1A1GAACPB1CTSBCTSK
SCHEMBL2701573 0.80 CPB1 (0.48) ALDH1A1GAACPB1CTSBCTSK
SCHEMBL708006 0.77 CPB1 (0.56) ALDH1A1GAACPB1CTSBCTSK
SCHEMBL703730 0.73 CPB1 (0.38) ALDH1A1GAACPB1CTSBCTSK
SCHEMBL704763 0.73 CPB1 (0.38) ALDH1A1GAACPB1CTSBCTSK
SCHEMBL23415559 0.72 CTSK (0.44) ALDH1A1GAACPB1CTSBCTSK
SCHEMBL28833842 0.72 CTSK (0.44) ALDH1A1GAACPB1CTSBCTSK
SCHEMBL23226937 0.72 CPB1 (0.48) ALDH1A1GAACPB1CTSBCTSK

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 ALDH1A1 2130/4885GAA 455/4885CPB1 1228/4885

“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.