SCHEMBL16367297

SCHEMBL16367297

Cc1ccc(S(=O)(=O)OCC2OC(n3ccnc3[N+](=O)[O-])C(O)C2O)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
ATG7 O95352 2/20 0.38
ADORA1 P30542 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA9 Q16790 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL16367338 0.86 ADORA1 (0.43) L3MBTL1ATG7ADORA1ADORA3ADORA2A
SCHEMBL15183379 0.84 CA1 (0.39) CA1CA2CA4CA9
SCHEMBL16367403 0.83 L3MBTL1 (0.38) L3MBTL1ATG7ADORA1ADORA3ADORA2A
SCHEMBL16367383 0.82 L3MBTL1 (0.39) L3MBTL1ATG7ADORA1ADORA3ADORA2A
SCHEMBL5911904 0.81 SLC29A1 (0.37) ADORA3
SCHEMBL16367335 0.80 ATG7 (0.37) ATG7ADORA1ADORA3ADORA2AADORA2B
SCHEMBL15607808 0.80 EGFR (0.42) ATG7CA1CA2CA9
SCHEMBL5911972 0.79 ADORA3 (0.41) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL5911964 0.79 ADORA3 (0.41) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL13908945 0.78 RNASE1 (0.32) ATG7CA1CA2CA9

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 2029/4885ATG7 4374/4885ADORA1 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.