SCHEMBL709054

SCHEMBL709054

CC1[C@H](C(=O)O)[C@H](NC(=O)OCc2ccccc2)CCN1CCO

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
CPB1 P15086 2/20 0.47
CTSK P43235 4/20 0.44
CTSB P07858 3/20 0.44
CTSL P07711 2/20 0.44
TSHR P16473 1/20 0.43
DPP4 P27487 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
KCNH2 Q12809 1/20 0.41
CTSS P25774 2/20 0.41
EPHX1 P07099 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL706634 1.00 ALDH1A1 (0.47) ALDH1A1GAACPB1CTSKCTSB
SCHEMBL704706 0.91 ALDH1A1 (0.46) ALDH1A1GAACPB1CTSKCTSB
SCHEMBL708007 0.86 ALDH1A1 (0.43) ALDH1A1GAACPB1CTSKCTSB
SCHEMBL704763 0.78 CPB1 (0.38) ALDH1A1GAACPB1CTSKCTSB
SCHEMBL703730 0.78 CPB1 (0.38) ALDH1A1GAACPB1CTSKCTSB
SCHEMBL2698668 0.76 CPB1 (0.51) ALDH1A1GAACPB1CTSKCTSB
SCHEMBL2699151 0.76 CPB1 (0.51) ALDH1A1GAACPB1CTSKCTSB
SCHEMBL709147 0.74 CPB1 (0.57) ALDH1A1GAACPB1CTSKCTSB
SCHEMBL28781924 0.74 CTSK (0.48) ALDH1A1GAACPB1CTSKCTSB
SCHEMBL5048819 0.74 ALDH1A1 (0.49) ALDH1A1GAACPB1CTSKCTSB

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.