SCHEMBL18839729

SCHEMBL18839729

CCOC(=O)Cn1nnc(CCO[Si](C)(C)C(C)(C)C)n1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.60
ATM Q13315 1/20 0.60
HSD17B10 Q99714 1/20 0.60
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
CNR2 P34972 1/20 0.36
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL14641240 0.77 HSD17B10 (0.79) PKMATMHSD17B10NPSR1MAPT
SCHEMBL18839745 0.76 MAPK1 (0.53) PKMATMHSD17B10NPSR1ALDH1A1
SCHEMBL7510078 0.76 PKM (0.68) PKMATMHSD17B10NPSR1MAPT
SCHEMBL7507085 0.76 PKM (0.68) PKMATMHSD17B10NPSR1MAPT
SCHEMBL4742666 0.75 SRC (0.39) PKMATMHSD17B10NPSR1MAPT
SCHEMBL18839883 0.74 DUT (0.32)
SCHEMBL18839891 0.72 PKM (0.81) PKMATMHSD17B10NPSR1MAPT
SCHEMBL2441708 0.72 HSD17B10 (0.71) PKMATMHSD17B10NPSR1MAPT
SCHEMBL10189370 0.72 HSD17B10 (0.61) PKMATMHSD17B10NPSR1MAPT
SCHEMBL15706622 0.71 HSD17B10 (0.69) PKMATMHSD17B10NPSR1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180282331-A1 7-Oxo -6-(sulfooxy)- 1,6-diazabicyclo [3.2.1] octane containing compounds and their use in treatment of bacterial infections (changed by PCT to: 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS WOCKHARDT LIMITED (IN) 2018-10-04 US disclosed
WO-2017081615-A1 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS WOCKHARDT LIMITED (IN) 2017-05-18 WO 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-20180282331-A1 7-Oxo -6-(sulfooxy)- 1,6-diazabicyclo [3.2.1] octane containing compounds and their use in treatment of bacterial infections (changed by PCT to: 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS TST, THPO, STS PKM 3431/4885ATM 2354/4885HSD17B10 1728/4885

“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.