SCHEMBL23112883

SCHEMBL23112883

CCOC(=O)c1c(CC)oc(CC)c1S(N)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
FHIT P49789 1/20 0.38
STS P08842 1/20 0.38
MAPK1 P28482 2/20 0.38
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSD17B10 Q99714 2/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL23127903 0.85 MAPT (0.40) CA1CA2SMN1; SMN2ALDH1A1MAPT
SCHEMBL23127898 0.80 SLC22A12 (0.32) CA1CA2CA12CA7TDP1
SCHEMBL23732218 0.71 KMT2A (0.46) CA1CA2SMN1; SMN2ALDH1A1MAPT
SCHEMBL23127817 0.71 KMT2A (0.43) CA1CA2SMN1; SMN2ALDH1A1MAPT
SCHEMBL23732255 0.71 CA1 (0.40) CA1CA2SMN1; SMN2ALDH1A1MAPT
SCHEMBL23127813 0.70 KMT2A (0.53) KMT2AUSP2LMNAMEN1
SCHEMBL23732221 0.69 ALDH1A1 (0.36) CA1CA2SMN1; SMN2ALDH1A1MAPT
SCHEMBL11008658 0.66 ALDH1A1 (0.62) CA1CA2SMN1; SMN2ALDH1A1MAPT
SCHEMBL10726878 0.66 ALDH1A1 (0.59) CA1CA2SMN1; SMN2ALDH1A1MAPT
SCHEMBL7026000 0.65 TSHR (0.54) CA1CA2ALDH1A1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112165936-B beta-lactamase inhibitor 国立大学法人东海国立大学机构 2023-11-28 CN disclosed
US-11497731-B2 β-lactamase inhibitor NATIONAL UNIVERSITY CORPORATION TOKAI NATIONAL HIGHER EDUCATION AND RESEARCH SYSTEM (JP) 2022-11-15 US disclosed
US-20210236463-A1 beta-LACTAMASE INHIBITOR NATIONAL UNIVERSITY CORPORATION TOKAI NATIONAL HIGHER EDUCATION AND RESEARCH SYSTEM (JP) 2021-08-05 US disclosed
US-20210236463-A1 beta-LACTAMASE INHIBITOR NATIONAL UNIVERSITY CORPORATION TOKAI NATIONAL HIGHER EDUCATION AND RESEARCH SYSTEM (JP) 2021-08-05 US disclosed
EP-3795149-A1 INHIBITOR & X3B2;-LACTAMASE National University Corporation Tokai National Higher Education and Research System (JP) 2021-03-24 EP disclosed
EP-3795149-A1 INHIBITOR & X3B2;-LACTAMASE National University Corporation Tokai National Higher Education and Research System (JP) 2021-03-24 EP disclosed
CN-112165936-A Beta-lactamase inhibitors 国立大学法人东海国立大学机构 2021-01-01 CN 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 (2 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-20210236463-A1 beta-LACTAMASE INHIBITOR MGAM, CMBL, MGAM2 CA1 1685/4885CA2 1433/4885SMN1; SMN2 3073/4885
US-11497731-B2 β-lactamase inhibitor MGAM, CMBL, MGAM2 CA1 2085/4885CA2 1656/4885SMN1; SMN2 3138/4885

“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.