SCHEMBL20518693

SCHEMBL20518693

CC(=O)Oc1nnn(CCON2C(=O)c3ccccc3C2=O)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL18839677 0.80 GAA (0.50) GAAALDH1A1CYP1A2CYP2C9RECQL
SCHEMBL18839754 0.77 GAA (0.44) GAAALDH1A1CYP1A2CYP2C9RECQL
SCHEMBL18839731 0.77 ADORA3 (0.42) GAAALDH1A1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL18839748 0.74 CYP1A2 (0.43) GAAALDH1A1CYP1A2CYP2C9RECQL
SCHEMBL18839788 0.74 TRPV1 (0.43) GAAALDH1A1CYP1A2CYP2C9RECQL
SCHEMBL19302743 0.72 RECQL (0.45) GAAALDH1A1CYP1A2CYP2C9RECQL
SCHEMBL18839717 0.71 MALT1 (0.40) GAAALDH1A1LMNATDP1KMT2A
SCHEMBL12155180 0.70 GAA (0.64) GAAALDH1A1CYP1A2CYP2C9RECQL
SCHEMBL18839580 0.70 GAA (0.59) GAAALDH1A1CYP1A2CYP2C9RECQL
SCHEMBL18839796 0.69 GAA (0.53) GAAALDH1A1CYP1A2CYP2C9RECQL

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 1 patent. 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

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 GAA 4163/4885ALDH1A1 2258/4885CYP1A2 1459/4885

“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.