SCHEMBL12406775

SCHEMBL12406775

C=CCO[C@@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H](OCc2ccc(OC)cc2)[C@H](OCc2ccc(OC)cc2)[C@H]1OCc1ccc(OC)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ FGF1 P05230 3/20 0.35
▸ FGF2 P09038 3/20 0.35
▸ VEGFA P15692 3/20 0.35
▸ HPSE Q9Y251 3/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ GJB2 P29033 1/20 0.34
▸ GJA1 P17302 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.33
▸ SSTR1 P30872 1/20 0.33
▸ SSTR2 P30874 1/20 0.33
▸ SSTR4 P31391 1/20 0.33
▸ SSTR3 P32745 1/20 0.33
▸ SSTR5 P35346 1/20 0.33
▸ MMP1 P03956 1/20 0.33

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
SCHEMBL13752405 0.91 ALDH1A1 (0.35) BCHEACHEALDH1A1FGF1FGF2
SCHEMBL6929305 0.90 FGF1 (0.44) BCHEFGF1FGF2VEGFAHPSE
SCHEMBL2175355 0.90 FGF1 (0.44) BCHEFGF1FGF2VEGFAHPSE
SCHEMBL6923504 0.90 FGF1 (0.44) BCHEFGF1FGF2VEGFAHPSE
SCHEMBL13057268 0.90 FGF1 (0.44) BCHEFGF1FGF2VEGFAHPSE
SCHEMBL12406783 0.85 FGF1 (0.37) BCHEACHEALDH1A1FGF1FGF2
SCHEMBL12480784 0.84 HPSE (0.38) FGF1FGF2VEGFAHPSECA1
SCHEMBL13901508 0.84 HPSE (0.38) FGF1FGF2VEGFAHPSECA1
SCHEMBL13057286 0.83 ALDH1A1 (0.37) BCHEACHEALDH1A1EGFRFFAR4
SCHEMBL13224917 0.82 FGF1 (0.40) BCHEFGF1FGF2VEGFAHPSE

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-7973145-B2 Sulfonated sugar compounds, pharmaceutical compositions which contain the same, and methods of treating tumors with the same TOYO SUISAN KAISHA, LTD. (JP) 2011-07-05 — — US disclosed
US-20090209475-A1 Sulfonated sugar compounds, pharmaceutical compositions which contain the same, and methods of treating tumors with the same TOYO SUISAN KAISHA, LTD. (JP) 2009-08-20 — — 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-20090209475-A1 Sulfonated sugar compounds, pharmaceutical compositions which contain the same, and methods of treating tumors with the same SLC5A2, SLC5A1, DEGS1 BCHE 4812/4885ACHE 4763/4885ALDH1A1 886/4885

“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.

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