SCHEMBL23732189

SCHEMBL23732189

CCc1c(C(=O)OC)c(S(N)(=O)=O)c(CN)n1C

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA2 P00918 6/20 0.32
CA1 P00915 5/20 0.32
CA9 Q16790 5/20 0.32
CA12 O43570 4/20 0.32
CA5A P35218 1/20 0.32
CA14 Q9ULX7 3/20 0.31
HTT P42858 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
CA7 P43166 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL23732249 0.84 KDM4E (0.32) KDM4E
SCHEMBL23732262 0.80 ALDH1A1 (0.38) KDM4EALDH1A1HPGDHSD17B10CA2
SCHEMBL23127817 0.79 KMT2A (0.43) KDM4EALDH1A1HPGDCA2CA1
SCHEMBL23127818 0.75 KDM4E (0.31) KDM4EALDH1A1HPGDHSD17B10CA2
SCHEMBL23732218 0.74 KMT2A (0.46) KDM4EALDH1A1HPGDCA2CA1
SCHEMBL9196319 0.72 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10CA2
SCHEMBL23732255 0.71 CA1 (0.40) ALDH1A1HPGDHSD17B10CA2CA1
SCHEMBL23732264 0.69 MAPT (0.32) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL23732191 0.68 USP2 (0.34) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL23732193 0.67 USP2 (0.36) KDM4E

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-20210236463-A1 beta-LACTAMASE INHIBITOR NATIONAL UNIVERSITY CORPORATION TOKAI NATIONAL HIGHER EDUCATION AND RESEARCH SYSTEM (JP) 2021-08-05 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-20210236463-A1 beta-LACTAMASE INHIBITOR MGAM, CMBL, MGAM2 KDM4E 1714/4885ALDH1A1 683/4885HPGD 1246/4885

“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.