SCHEMBL16367383

SCHEMBL16367383

Cc1ccc(S(=O)(=O)OCC2OC(n3cncc3[N+](=O)[O-])C(O)C2O)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
ADORA1 P30542 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SLC29A1 Q99808 1/20 0.36
ATG7 O95352 1/20 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
SCHEMBL15607879 0.86 ADORA1 (0.42) L3MBTL1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL15607880 0.84 CA1 (0.38) CA1CA2CA4CA9
SCHEMBL16367403 0.84 L3MBTL1 (0.38) L3MBTL1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL15607868 0.83 L3MBTL1 (0.41) L3MBTL1ADORA1CA1CA2CA4
SCHEMBL15607808 0.83 EGFR (0.42) CA1CA2CA9ATG7
SCHEMBL16367297 0.82 L3MBTL1 (0.40) L3MBTL1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL16367335 0.79 ATG7 (0.37) ADORA1ADORA3ADORA2AADORA2BCA1
SCHEMBL16367320 0.78 ADORA3 (0.41) ADORA1ADORA3ADORA2AADORA2BSLC29A1
SCHEMBL5448206 0.76 STAT3 (0.41) CA1CA9ATG7
SCHEMBL5452051 0.76 STAT3 (0.41) CA1CA9ATG7

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-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation AUCKLAND UNISERVICES LTD (NL) 2015-01-08 US disclosed
US-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation AUCKLAND UNISERVICES LTD (NL) 2015-01-08 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-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation CBR1, CBR3, BLVRB L3MBTL1 2029/4885ADORA1 3487/4885ADORA3 2690/4885

“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.