SCHEMBL866212

SCHEMBL866212

NS(=O)(=O)OC[C@H]1O[C@@H](c2csc3c(NCc4ccccc4Cl)ncnc23)[C@H](O)[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
ATG7 O95352 4/20 0.41
NAE1 Q13564 4/20 0.40
UBA3 Q8TBC4 4/20 0.40
NT5E P21589 4/20 0.40
SAE1 Q9UBE0 2/20 0.40
UBA6 A0AVT1 1/20 0.40
UBA7 P41226 1/20 0.40
HTR1D P28221 1/20 0.38
HTR2B P41595 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
SLC28A2 O43868 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
PAX8 Q06710 1/20 0.36

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
SCHEMBL865269 1.00 AURKA (0.42) AURKARPS6KB1ATG7NAE1UBA3
SCHEMBL867139 0.88 DNPH1 (0.44) ATG7NAE1UBA3NT5ESAE1
SCHEMBL867142 0.88 DNPH1 (0.44) ATG7NAE1UBA3NT5ESAE1
SCHEMBL10185764 0.88 ATG7 (0.41) ATG7NAE1UBA3NT5ESAE1
SCHEMBL867352 0.88 ATG7 (0.41) ATG7NAE1UBA3NT5ESAE1
SCHEMBL866807 0.88 ATG7 (0.41) ATG7NAE1UBA3NT5ESAE1
SCHEMBL866577 0.85 ADORA3 (0.46) AURKARPS6KB1ATG7NAE1UBA3
SCHEMBL866868 0.85 ADORA3 (0.46) AURKARPS6KB1ATG7NAE1UBA3
SCHEMBL866315 0.82 ATG7 (0.43) AURKARPS6KB1ATG7NAE1UBA3
SCHEMBL867742 0.82 ATG7 (0.43) AURKARPS6KB1ATG7NAE1UBA3

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 AURKA 3108/4885RPS6KB1 2781/4885ATG7 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.