SCHEMBL16367338

SCHEMBL16367338

CS(=O)(=O)OCC1OC(n2ccnc2[N+](=O)[O-])C(O)C1O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.43
ADORA3 P0DMS8 3/20 0.43
ADORA2A P29274 3/20 0.43
ADORA2B P29275 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 1/20 0.39
CDA P32320 1/20 0.39
ATG7 O95352 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38

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
SCHEMBL16367297 0.86 L3MBTL1 (0.40) ADORA1ADORA3ADORA2AADORA2BL3MBTL1
SCHEMBL5911972 0.84 ADORA3 (0.41) ADORA1ADORA3ADORA2AADORA2BMAPT
SCHEMBL5911964 0.84 ADORA3 (0.41) ADORA1ADORA3ADORA2AADORA2BMAPT
SCHEMBL5911675 0.82 MAPT (0.56) ADORA3MAPTCDA
SCHEMBL11070054 0.82 MAPT (0.56) ADORA3MAPTCDA
SCHEMBL12071279 0.82 MAPT (0.56) ADORA3MAPTCDA
SCHEMBL5911672 0.82 MAPT (0.56) ADORA3MAPTCDA
SCHEMBL5911861 0.82 MAPT (0.56) ADORA3MAPTCDA
SCHEMBL5911868 0.82 MAPT (0.56) ADORA3MAPTCDA
SCHEMBL365948 0.81 MAPT (0.43) ADORA1ADORA3ADORA2AADORA2BMAPT

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-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 ADORA1 3487/4885ADORA3 2690/4885ADORA2A 3419/4885

“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.