SCHEMBL16367335

SCHEMBL16367335

Cc1ccc(S(=O)(=O)OCC2OC(n3cnc([N+](=O)[O-])c3)C(O)C2O)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATG7 O95352 3/20 0.37
ADORA3 P0DMS8 2/20 0.35
ADORA1 P30542 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL16367307 0.86 ADORA3 (0.40) ATG7ADORA3ADORA1ADORA2AADORA2B
SCHEMBL16367358 0.84 CA9 (0.40) CA1CA2CA9
SCHEMBL16367297 0.80 L3MBTL1 (0.40) ATG7ADORA3ADORA1ADORA2AADORA2B
SCHEMBL16367383 0.79 L3MBTL1 (0.39) ATG7ADORA3ADORA1ADORA2AADORA2B
SCHEMBL15607808 0.79 EGFR (0.42) ATG7CA1CA2CA9
SCHEMBL16367403 0.78 L3MBTL1 (0.38) ATG7ADORA3ADORA1ADORA2AADORA2B
SCHEMBL15607864 0.78 ADORA3 (0.35) ATG7ADORA3ADORA1ADORA2AADORA2B
SCHEMBL16367394 0.78 ADORA3 (0.43) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL5448206 0.76 STAT3 (0.41) ATG7CA1CA9
SCHEMBL5452051 0.76 STAT3 (0.41) ATG7CA1CA9

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 ATG7 4374/4885ADORA3 2690/4885ADORA1 3487/4885

“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.