SCHEMBL6157313

SCHEMBL6157313

COc1cccc(Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)c1.O=[N+]([O-])c1ccc(Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)cc1.O=[N+]([O-])c1cccc(-c2nnc(Nc3cccc(C(F)(F)F)c3)s2)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 13/20 0.55
CSNK2A2 P19784 1/20 0.55
CSNK2B P67870 1/20 0.55
CSNK2A1 P68400 1/20 0.55
KIF11 P52732 1/20 0.54
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
MPO P05164 1/20 0.43
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
EGFR P00533 1/20 0.42

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
SCHEMBL6157726 0.88 ROCK2 (0.59) ABCG2CSNK2A1KIF11ROCK2ROCK1
SCHEMBL6153413 0.88 CSNK2A2 (0.62) ABCG2CSNK2A2CSNK2BCSNK2A1ROCK2
SCHEMBL6155483 0.84 CSNK2A2 (0.59) ABCG2CSNK2A2CSNK2BCSNK2A1ROCK2
SCHEMBL6157444 0.81 ROCK2 (0.67) CSNK2A2CSNK2BCSNK2A1ROCK2ROCK1
SCHEMBL6160095 0.78 ROCK2 (0.69) ABCG2CSNK2A1ROCK2ROCK1
SCHEMBL6153808 0.75 ROCK2 (0.62) CSNK2A1ROCK2ROCK1
SCHEMBL6156315 0.74 ALDH1A1 (0.54) ABCG2CSNK2A2CSNK2BCSNK2A1ROCK2
SCHEMBL6153541 0.74 ROCK2 (0.56) CSNK2A2CSNK2BCSNK2A1ROCK2ROCK1
SCHEMBL6153835 0.74 ROCK2 (0.64) CSNK2A1ROCK2ROCK1
SCHEMBL6153800 0.74 GAA (0.64) CSNK2A1ROCK2ROCK1

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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US claimed

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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP ABCG2 2346/4885CSNK2A2 1209/4885CSNK2B 1363/4885

“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.