SCHEMBL18839737

SCHEMBL18839737

CC(C)(C)OC(=O)NCCc1nnnn1CCON1C(=O)c2ccccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
GFER P55789 1/20 0.41
MALT1 Q9UDY8 1/20 0.40
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
BCHE P06276 1/20 0.37
NAMPT P43490 1/20 0.37
AKT1 P31749 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
IDO1 P14902 3/20 0.36
DRD2 P14416 1/20 0.36
GAA P10253 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
MAPT P10636 1/20 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
SCHEMBL18839717 0.81 MALT1 (0.40) ALDH1A1GFERMALT1TPSAB1TPSD1
SCHEMBL2451977 0.80 MALT1 (0.52) ALDH1A1MALT1TPSAB1TPSD1TPSG1
SCHEMBL29727448 0.80 MALT1 (0.52) ALDH1A1MALT1TPSAB1TPSD1TPSG1
SCHEMBL31314288 0.78 MALT1 (0.50) MALT1TPSAB1TPSD1TPSG1PDCD1
SCHEMBL12143602 0.78 MALT1 (0.50) MALT1TPSAB1TPSD1TPSG1PDCD1
SCHEMBL18839769 0.77 GAA (0.39) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL8752938 0.77 TPSAB1 (0.51) MALT1TPSAB1TPSD1TPSG1IDO1
SCHEMBL1785691 0.77 ALDH1A1 (0.50) ALDH1A1GFERBCHEMEN1LMNA
SCHEMBL17264137 0.76 TPSAB1 (0.53) MALT1TPSAB1TPSD1TPSG1DRD2
SCHEMBL18839790 0.76 GAA (0.48) ALDH1A1GAA

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 ALDH1A1 2258/4885GFER 1173/4885MALT1 56/4885

“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.