SCHEMBL13057286

SCHEMBL13057286

C=CCO[C@@H]1C[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 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.37
▸ PKM P14618 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ EGFR P00533 1/20 0.35
▸ KCNA5 P22460 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ ADAM17 P78536 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ GAA P10253 1/20 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
SCHEMBL13057285 0.85 ALDH1A1 (0.38) ALDH1A1PKMLMNASMN1; SMN2BCHE
SCHEMBL12406775 0.83 BCHE (0.36) ALDH1A1BCHEACHEEGFRFFAR4
SCHEMBL13752405 0.80 ALDH1A1 (0.35) ALDH1A1PKMLMNASMN1; SMN2BCHE
SCHEMBL13057287 0.78 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL2175355 0.72 FGF1 (0.44) BCHE
SCHEMBL6923504 0.72 FGF1 (0.44) BCHE
SCHEMBL13057268 0.72 FGF1 (0.44) BCHE
SCHEMBL6929305 0.72 FGF1 (0.44) BCHE
SCHEMBL5870597 0.71 ALDH1A1 (0.57) ALDH1A1PKMLMNASMN1; SMN2BCHE
SCHEMBL12406783 0.70 FGF1 (0.37) ALDH1A1BCHEACHEEGFR

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-20100298246-A1 Sulfonated sugar compounds, pharmaceutical compositions which contain the same, and methods of treating tumors with the same TOYO SUISAN KAISHA, LTD. (JP) 2010-11-25 — — 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-20100298246-A1 Sulfonated sugar compounds, pharmaceutical compositions which contain the same, and methods of treating tumors with the same SLC5A2, SLC5A1, DEGS1 ALDH1A1 886/4885PKM 447/4885LMNA 3304/4885

“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.

Send feedback