SCHEMBL866063

SCHEMBL866063

CCCCCCNc1ncnc2c([C@@H]3C[C@@H](COS(N)(=O)=O)[C@@H](O)C3)csc12

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 18/20 0.58
UBA3 Q8TBC4 16/20 0.58
UBA1 P22314 1/20 0.37
UBA6 A0AVT1 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
CA2 P00918 2/20 0.36
GRK5 P34947 1/20 0.36
CSNK1A1 P48729 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
SCHEMBL866594 1.00 NAE1 (0.58) NAE1UBA3UBA1UBA6SAE1
SCHEMBL867174 0.83 NAE1 (0.44) NAE1UBA3UBA6SAE1CA2
SCHEMBL867353 0.83 NAE1 (0.44) NAE1UBA3UBA6SAE1CA2
SCHEMBL866336 0.80 NAE1 (0.42) NAE1UBA3
SCHEMBL867053 0.79 NAE1 (0.43) NAE1UBA3UBA6SAE1CA2
SCHEMBL865882 0.79 NAE1 (0.43) NAE1UBA3UBA6SAE1CA2
SCHEMBL866989 0.76 NAE1 (0.69) NAE1UBA3UBA6SAE1CA2
SCHEMBL10184289 0.75 NAE1 (0.63) NAE1UBA3UBA6SAE1CA2
SCHEMBL865945 0.75 NAE1 (0.63) NAE1UBA3UBA6SAE1CA2
SCHEMBL866908 0.74 NAE1 (0.53) NAE1UBA3UBA6SAE1CA2

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 3/4885UBA1 41/4885

“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.