SCHEMBL866577

SCHEMBL866577

NS(=O)(=O)OC[C@H]1O[C@@H](c2csc3c(NCc4cccc(Cl)c4)ncnc23)[C@H](O)[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.46
ADORA2A P29274 7/20 0.46
ADORA1 P30542 6/20 0.46
METTL3 Q86U44 1/20 0.43
METTL14 Q9HCE5 1/20 0.43
NAE1 Q13564 2/20 0.41
UBA3 Q8TBC4 2/20 0.41
SAE1 Q9UBE0 2/20 0.41
UBA2 Q9UBT2 2/20 0.41
ATG7 O95352 1/20 0.40
HTR2B P41595 1/20 0.39
ADORA2B P29275 1/20 0.39
SLC28A2 O43868 1/20 0.39
PDE5A O76074 1/20 0.39
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39

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
SCHEMBL866868 1.00 ADORA3 (0.46) ADORA3ADORA2AADORA1METTL3METTL14
SCHEMBL866807 0.91 ATG7 (0.41) ADORA3NAE1UBA3SAE1ATG7
SCHEMBL867352 0.91 ATG7 (0.41) ADORA3NAE1UBA3SAE1ATG7
SCHEMBL10185764 0.91 ATG7 (0.41) ADORA3NAE1UBA3SAE1ATG7
SCHEMBL867142 0.90 DNPH1 (0.44) ADORA3NAE1UBA3SAE1ATG7
SCHEMBL867139 0.90 DNPH1 (0.44) ADORA3NAE1UBA3SAE1ATG7
SCHEMBL866212 0.85 AURKA (0.42) ADORA3ADORA2AADORA1NAE1UBA3
SCHEMBL865269 0.85 AURKA (0.42) ADORA3ADORA2AADORA1NAE1UBA3
SCHEMBL866315 0.81 ATG7 (0.43) ADORA1NAE1UBA3SAE1ATG7
SCHEMBL867742 0.81 ATG7 (0.43) ADORA1NAE1UBA3SAE1ATG7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES WANG ZHONG (US) 2012-03-29 US claimed
US-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES WANG ZHONG (US) 2012-03-29 US disclosed
US-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES WANG ZHONG (US) 2012-03-29 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-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES NEDD8, NAE1, UBA3 ADORA3 3756/4885ADORA2A 3691/4885ADORA1 3112/4885

“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.