SCHEMBL866971

SCHEMBL866971

O[C@@H]1C[C@H](c2csc3c(N[C@H]4CCc5ccccc54)ncnc23)C=C1COCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.40
RPS6KB1 P23443 3/20 0.40
NAE1 Q13564 6/20 0.40
UBA3 Q8TBC4 4/20 0.40
EGFR P00533 1/20 0.40
UBA6 A0AVT1 3/20 0.37
SAE1 Q9UBE0 3/20 0.37
ATG7 O95352 1/20 0.37
UBA7 P41226 1/20 0.37
MAPT P10636 1/20 0.36
AURKB Q96GD4 1/20 0.36
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
P2RX7 Q99572 2/20 0.35

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
SCHEMBL10184142 0.89 EGFR (0.40) AURKARPS6KB1NAE1UBA3EGFR
SCHEMBL10149398 0.87 AURKA (0.44) AURKARPS6KB1NAE1UBA3EGFR
SCHEMBL866432 0.83 NAE1 (0.49) AURKARPS6KB1NAE1UBA3EGFR
SCHEMBL865919 0.78 P2RX7 (0.40) NAE1UBA3EGFRUBA6SAE1
SCHEMBL865948 0.78 P2RX7 (0.40) NAE1UBA3EGFRUBA6SAE1
SCHEMBL866996 0.77 EGFR (0.38) AURKARPS6KB1NAE1UBA3EGFR
SCHEMBL10149399 0.74 NAE1 (0.47) AURKARPS6KB1NAE1UBA3EGFR
SCHEMBL866864 0.72 AURKA (0.52) AURKARPS6KB1NAE1UBA3EGFR
SCHEMBL866863 0.72 AURKA (0.52) AURKARPS6KB1NAE1UBA3EGFR
SCHEMBL867185 0.72 AURKA (0.38) AURKARPS6KB1NAE1UBA3UBA6

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 AURKA 3108/4885RPS6KB1 2781/4885NAE1 2/4885

“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.