SCHEMBL867142

SCHEMBL867142

NS(=O)(=O)OC[C@H]1O[C@@H](c2csc3c(NCc4ccccc4)ncnc23)[C@H](O)[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNPH1 O43598 1/20 0.44
NAE1 Q13564 4/20 0.43
UBA3 Q8TBC4 4/20 0.43
ATG7 O95352 7/20 0.42
UBA6 A0AVT1 1/20 0.42
UBA7 P41226 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
NT5E P21589 1/20 0.42
P2RX3 P56373 1/20 0.42
P2RX2 Q9UBL9 1/20 0.42
ADORA3 P0DMS8 4/20 0.41
TP53 P04637 1/20 0.41
SLC29A1 Q99808 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
IARS1 P41252 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
SCHEMBL867139 1.00 DNPH1 (0.44) DNPH1NAE1UBA3ATG7UBA6
SCHEMBL10185764 0.92 ATG7 (0.41) DNPH1NAE1UBA3ATG7UBA6
SCHEMBL866807 0.92 ATG7 (0.41) DNPH1NAE1UBA3ATG7UBA6
SCHEMBL867352 0.92 ATG7 (0.41) DNPH1NAE1UBA3ATG7UBA6
SCHEMBL866868 0.90 ADORA3 (0.46) NAE1UBA3ATG7SAE1ADORA3
SCHEMBL866577 0.90 ADORA3 (0.46) NAE1UBA3ATG7SAE1ADORA3
SCHEMBL865269 0.88 AURKA (0.42) NAE1UBA3ATG7UBA6UBA7
SCHEMBL866212 0.88 AURKA (0.42) NAE1UBA3ATG7UBA6UBA7
SCHEMBL866315 0.85 ATG7 (0.43) NAE1UBA3ATG7UBA6UBA7
SCHEMBL867742 0.85 ATG7 (0.43) NAE1UBA3ATG7UBA6UBA7

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 DNPH1 498/4885NAE1 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.