SCHEMBL18839965

SCHEMBL18839965

CCOC(=O)c1nnnn1CCON1C(=O)c2ccccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
RECQL P46063 1/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PABPC1 P11940 2/20 0.38
APOBEC3A P31941 1/20 0.38
EIF4H Q15056 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
TP53 P04637 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL18839862 0.80 GAA (0.50) GAARECQLALDH1A1MAPTNPSR1
SCHEMBL18839731 0.77 ADORA3 (0.42) GAAALDH1A1MAPTNPSR1PABPC1
SCHEMBL18839790 0.75 GAA (0.48) GAARECQLALDH1A1CYP1A2CYP2C9
SCHEMBL18839755 0.75 MAPK1 (0.44) GAAALDH1A1MAPTCYP1A2HPGD
SCHEMBL20518585 0.73 GAA (0.36) GAARECQLALDH1A1CYP1A2CYP2C9
SCHEMBL5954845 0.73 CYP19A1 (0.60) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL11776322 0.70 MAPK1 (0.51) GAAALDH1A1MAPTHPGDTP53
SCHEMBL10959104 0.69 ALDH1A1 (0.47) GAAALDH1A1HPGDTP53ALOX12
SCHEMBL18839737 0.69 ALDH1A1 (0.41) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL1563045 0.69 GAA (0.51) GAARECQLALDH1A1MAPTCYP1A2

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 GAA 4163/4885RECQL 4067/4885ALDH1A1 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.