SCHEMBL866701

SCHEMBL866701

NS(=O)(=O)OC[C@@H]1C[C@@H](c2csc3c(N[C@H]4CCCc5ccccc54)ncnc23)C[C@@H]1O

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 15/20 0.63
UBA3 Q8TBC4 13/20 0.63
SAE1 Q9UBE0 6/20 0.56
UBA6 A0AVT1 3/20 0.56
UBA2 Q9UBT2 4/20 0.55
CA2 P00918 2/20 0.55
GRK5 P34947 1/20 0.55
CSNK1A1 P48729 1/20 0.55
NEDD8 Q15843 1/20 0.55
ATG7 O95352 1/20 0.48
UBA7 P41226 1/20 0.48
AURKA O14965 2/20 0.47
RPS6KB1 P23443 2/20 0.47
AURKB Q96GD4 1/20 0.47

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
SCHEMBL10184289 1.00 NAE1 (0.63) NAE1UBA3SAE1UBA6UBA2
SCHEMBL865945 1.00 NAE1 (0.63) NAE1UBA3SAE1UBA6UBA2
SCHEMBL866935 0.95 NAE1 (0.69) NAE1UBA3SAE1UBA6UBA2
SCHEMBL865335 0.95 NAE1 (0.69) NAE1UBA3SAE1UBA6UBA2
SCHEMBL867134 0.95 NAE1 (0.69) NAE1UBA3SAE1UBA6UBA2
SCHEMBL867236 0.95 NAE1 (0.69) NAE1UBA3SAE1UBA6UBA2
SCHEMBL866989 0.95 NAE1 (0.69) NAE1UBA3SAE1UBA6UBA2
SCHEMBL866908 0.85 NAE1 (0.53) NAE1UBA3SAE1UBA6UBA2
SCHEMBL867155 0.85 NAE1 (0.55) NAE1UBA3SAE1UBA6UBA2
SCHEMBL867569 0.85 NAE1 (0.55) NAE1UBA3SAE1UBA6UBA2

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 2 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

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 3/4885SAE1 29/4885

“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.