SCHEMBL18839731

SCHEMBL18839731

CCOC(=O)c1nnn(CCON2C(=O)c3ccccc3C2=O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 5/20 0.40
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
ALOX12 P18054 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
CYP2C19 P33261 1/20 0.38
PABPC1 P11940 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
SCHEMBL18839677 0.80 GAA (0.50) GAAALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL18839965 0.77 GAA (0.42) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL20518693 0.77 GAA (0.43) GAAALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL18839754 0.75 GAA (0.44) GAAALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL18839788 0.75 TRPV1 (0.43) GAAALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL18839748 0.75 CYP1A2 (0.43) GAAALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL18839921 0.75 ALDH1A1 (0.47) ADORA3GAAALDH1A1TSHRSMN1; SMN2
SCHEMBL23516537 0.74 PKM (0.44) ADORA3ALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL20518695 0.73 GAA (0.36) GAAALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL11075948 0.73 ALDH1A1 (0.56) ALDH1A1TSHRSMN1; SMN2MAPTTP53

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 ADORA3 4532/4885GAA 4163/4885ALDH1A1 2258/4885

“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.