SCHEMBL867398

SCHEMBL867398

NS(=O)(=O)OC[C@H]1O[C@@H](c2coc3c(NCc4ccc(Cl)cc4Cl)ncnc23)[C@H](O)[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATG7 O95352 6/20 0.41
NAE1 Q13564 3/20 0.38
UBA3 Q8TBC4 3/20 0.38
UBA6 A0AVT1 1/20 0.38
UBA7 P41226 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
SLC29A1 Q99808 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA9 Q16790 1/20 0.37
NT5E P21589 1/20 0.35
SLC5A2 P31639 1/20 0.35

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
SCHEMBL866287 1.00 ATG7 (0.41) ATG7NAE1UBA3UBA6UBA7
SCHEMBL866952 0.82 AURKA (0.49) ATG7NAE1UBA3UBA6UBA7
SCHEMBL865137 0.82 AURKA (0.49) ATG7NAE1UBA3UBA6UBA7
SCHEMBL866212 0.77 AURKA (0.42) ATG7NAE1UBA3UBA6UBA7
SCHEMBL865269 0.77 AURKA (0.42) ATG7NAE1UBA3UBA6UBA7
SCHEMBL867144 0.76 ATG7 (0.49) ATG7
SCHEMBL867383 0.76 ATG7 (0.49) ATG7
SCHEMBL867352 0.75 ATG7 (0.41) ATG7NAE1UBA3UBA6UBA7
SCHEMBL10185764 0.75 ATG7 (0.41) ATG7NAE1UBA3UBA6UBA7
SCHEMBL866807 0.75 ATG7 (0.41) ATG7NAE1UBA3UBA6UBA7

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 ATG7 798/4885NAE1 2/4885UBA3 3/4885

“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.