SCHEMBL866540

SCHEMBL866540

O[C@@H]1C[C@H](c2cnc(N[C@H]3CCc4ccccc43)c3ccoc23)C[C@H]1COCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 10/20 0.42
UBA3 Q8TBC4 8/20 0.42
UBA6 A0AVT1 3/20 0.42
SAE1 Q9UBE0 3/20 0.42
CA2 P00918 2/20 0.42
GRK5 P34947 1/20 0.42
CSNK1A1 P48729 1/20 0.42
NEDD8 Q15843 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
EGFR P00533 1/20 0.36
ATG7 O95352 1/20 0.36
UBA7 P41226 1/20 0.36
GBA1 P04062 1/20 0.34
P2RX7 Q99572 2/20 0.34

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
SCHEMBL866729 0.85 EGFR (0.34) NAE1UBA3UBA6SAE1CA2
SCHEMBL865132 0.80 NAE1 (0.49) NAE1UBA3UBA6SAE1CA2
SCHEMBL866432 0.75 NAE1 (0.49) NAE1UBA3UBA6SAE1CA2
SCHEMBL10184161 0.69 NAE1 (0.48) NAE1UBA3UBA6SAE1CA2
SCHEMBL10149535 0.67 NAE1 (0.38) NAE1UBA3UBA6SAE1CA2
SCHEMBL866825 0.67 NAE1 (0.38) NAE1UBA3UBA6SAE1CA2
SCHEMBL865635 0.67 NAE1 (0.68) NAE1UBA3UBA6SAE1CA2
SCHEMBL866803 0.67 NAE1 (0.68) NAE1UBA3UBA6SAE1CA2
SCHEMBL865943 0.67 NAE1 (0.68) NAE1UBA3UBA6SAE1CA2
SCHEMBL866172 0.65 AURKA (0.41) 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 1 patent. 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 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 3/4885UBA6 129/4885

“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.