SCHEMBL866904

SCHEMBL866904

NS(=O)(=O)OC[C@H]1O[C@@H](c2csc3c(NC4CC4)ncnc23)[C@H](O)[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 5/20 0.46
UBA3 Q8TBC4 5/20 0.46
ATG7 O95352 4/20 0.46
SAE1 Q9UBE0 3/20 0.46
UBA6 A0AVT1 1/20 0.46
UBA7 P41226 1/20 0.46
ADORA1 P30542 5/20 0.45
ADORA3 P0DMS8 3/20 0.40
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
UBA2 Q9UBT2 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 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
SCHEMBL867137 1.00 NAE1 (0.46) NAE1UBA3ATG7SAE1UBA6
SCHEMBL866315 0.87 ATG7 (0.43) NAE1UBA3ATG7SAE1UBA6
SCHEMBL867742 0.87 ATG7 (0.43) NAE1UBA3ATG7SAE1UBA6
SCHEMBL865428 0.86 NAE1 (0.65) NAE1UBA3ATG7SAE1UBA6
SCHEMBL865998 0.86 NAE1 (0.65) NAE1UBA3ATG7SAE1UBA6
SCHEMBL867224 0.86 NAE1 (0.65) NAE1UBA3ATG7SAE1UBA6
SCHEMBL866573 0.83 ATG7 (0.48) ATG7
SCHEMBL866882 0.83 ATG7 (0.48) ATG7
SCHEMBL864989 0.83 ATG7 (0.40) NAE1UBA3ATG7SAE1UBA6
SCHEMBL867260 0.83 ATG7 (0.40) NAE1UBA3ATG7SAE1UBA6

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

“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.