SCHEMBL10030207

SCHEMBL10030207

Nc1cc(S(=O)(=O)O)c2ccc3c(S(=O)(=O)O)cc(SOOO)c4ccc1c2c43

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 4/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CASP6 P55212 1/20 0.33
CYP1A2 P05177 1/20 0.33
TTR P02766 1/20 0.33
PTPN11 Q06124 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
TP53 P04637 2/20 0.32
CYP3A4 P08684 2/20 0.32
MAPT P10636 2/20 0.32
THRB P10828 2/20 0.32
HPGD P15428 2/20 0.32
ALOX15 P16050 2/20 0.32
MAPK1 P28482 2/20 0.32
BRCA1 P38398 2/20 0.32

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
SCHEMBL13376063 0.97 AURKA (0.35) AURKAAURKBALDH1A1HSD17B10CYP2C9
SCHEMBL6126028 0.85 MPL (0.37) AURKAAURKBALDH1A1HSD17B10CYP2C9
SCHEMBL9962916 0.85 PTPN11 (0.35) AURKAAURKBALDH1A1HSD17B10CYP2C9
SCHEMBL12213942 0.84 PTPN11 (0.34) ALDH1A1HSD17B10CYP2C9CYP2C19PTPN11
SCHEMBL13617387 0.82 PTPN11 (0.35) AURKAAURKBALDH1A1HSD17B10CYP2C9
SCHEMBL12213939 0.81 FABP3 (0.31) PTPN11
SCHEMBL31229289 0.79 AURKA (0.46) AURKAAURKBALDH1A1HSD17B10CYP2C9
SCHEMBL338441 0.79 AURKA (0.46) AURKAAURKBALDH1A1HSD17B10CYP2C9
SCHEMBL29384070 0.79 AURKA (0.46) AURKAAURKBALDH1A1HSD17B10CYP2C9
SCHEMBL19035701 0.79 AURKA (0.39) AURKAAURKBALDH1A1HSD17B10CYP2C9

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-8124792-B2 Compounds and methods for rapid labeling of N-glycans PROZYME, INC. (US) 2012-02-28 US disclosed
US-20090258437-A1 COMPOUNDS AND METHODS FOR RAPID LABELING OF N-GLYCANS PROZYME, INC. (US) 2009-10-15 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-20090258437-A1 COMPOUNDS AND METHODS FOR RAPID LABELING OF N-GLYCANS B3GNT2, FUT5, FUT6 AURKA 2721/4885AURKB 2795/4885ALDH1A1 2931/4885

“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.