SCHEMBL866825

SCHEMBL866825

CC(C)(C)[Si](O[C@@H]1C[C@H](c2coc3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@H]1COCc1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 8/20 0.38
UBA3 Q8TBC4 6/20 0.38
AURKA O14965 3/20 0.36
RPS6KB1 P23443 3/20 0.36
UBA6 A0AVT1 3/20 0.35
SAE1 Q9UBE0 3/20 0.35
EGFR P00533 1/20 0.35
CA2 P00918 2/20 0.35
GRK5 P34947 1/20 0.35
CSNK1A1 P48729 1/20 0.35
NEDD8 Q15843 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
ATG7 O95352 1/20 0.35
UBA7 P41226 1/20 0.35
AURKB Q96GD4 1/20 0.32
P2RX7 Q99572 2/20 0.32
CACNA2D1 P54289 1/20 0.30

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
SCHEMBL10149535 1.00 NAE1 (0.38) NAE1UBA3AURKARPS6KB1UBA6
SCHEMBL865132 0.85 NAE1 (0.49) NAE1UBA3AURKARPS6KB1UBA6
SCHEMBL866729 0.83 EGFR (0.34) NAE1UBA3AURKARPS6KB1UBA6
SCHEMBL867511 0.80 NT5E (0.40) NAE1UBA3AURKARPS6KB1UBA6
SCHEMBL867512 0.80 NT5E (0.40) NAE1UBA3AURKARPS6KB1UBA6
SCHEMBL867513 0.80 NT5E (0.40) NAE1UBA3AURKARPS6KB1UBA6
SCHEMBL10184253 0.76 NAE1 (0.37) NAE1UBA3AURKARPS6KB1UBA6
SCHEMBL10184161 0.76 NAE1 (0.48) NAE1UBA3AURKARPS6KB1UBA6
SCHEMBL10149538 0.74 AURKA (0.43) NAE1UBA3AURKARPS6KB1UBA6
SCHEMBL866381 0.74 NAE1 (0.37) NAE1UBA3AURKARPS6KB1UBA6

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 3/4885AURKA 3108/4885

“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.