SCHEMBL866952

SCHEMBL866952

NS(=O)(=O)OC[C@H]1O[C@@H](c2coc3c(NCc4ccc(Cl)c(C(F)(F)F)c4)ncnc23)[C@H](O)[C@@H]1O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKA O14965 16/20 0.49
RPS6KB1 P23443 15/20 0.49
AURKB Q96GD4 4/20 0.49
HTR2B P41595 1/20 0.37
ATG7 O95352 2/20 0.36
UBA6 A0AVT1 1/20 0.36
UBA7 P41226 1/20 0.36
NAE1 Q13564 1/20 0.36
UBA3 Q8TBC4 1/20 0.36
SAE1 Q9UBE0 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
SCHEMBL865137 1.00 AURKA (0.49) AURKARPS6KB1AURKBHTR2BATG7
SCHEMBL866287 0.82 ATG7 (0.41) ATG7UBA6UBA7NAE1UBA3
SCHEMBL867398 0.82 ATG7 (0.41) ATG7UBA6UBA7NAE1UBA3
SCHEMBL867352 0.74 ATG7 (0.41) HTR2BATG7UBA6UBA7NAE1
SCHEMBL10185764 0.74 ATG7 (0.41) HTR2BATG7UBA6UBA7NAE1
SCHEMBL866807 0.74 ATG7 (0.41) HTR2BATG7UBA6UBA7NAE1
SCHEMBL866868 0.73 ADORA3 (0.46) AURKARPS6KB1HTR2BATG7NAE1
SCHEMBL866577 0.73 ADORA3 (0.46) AURKARPS6KB1HTR2BATG7NAE1
SCHEMBL867383 0.73 ATG7 (0.49) ATG7
SCHEMBL867144 0.73 ATG7 (0.49) ATG7

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 2781/4885AURKB 3187/4885

“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.