SCHEMBL222748

SCHEMBL222748

CCCCOCC1OC(c2ccc(Cl)c(C(=O)O)c2)[C@H](OCCCC)C(OCCCC)[C@@H]1OCCCC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 11/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SSTR1 P30872 1/20 0.36
▸ SSTR2 P30874 1/20 0.36
▸ SSTR4 P31391 1/20 0.36
▸ SSTR3 P32745 1/20 0.36
▸ SSTR5 P35346 1/20 0.36
▸ PTPN1 P18031 2/20 0.34
▸ PTPN2 P17706 1/20 0.34
▸ RARA P10276 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL15888756 1.00 SLC5A2 (0.36) SLC5A2ALDH1A1SMN1; SMN2SSTR1SSTR2
SCHEMBL15888755 0.88 SSTR1 (0.36) SLC5A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL2600477 0.86 SLC5A2 (0.41) SLC5A2
SCHEMBL2600395 0.84 SLC5A2 (0.35) SLC5A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL14235767 0.83 SLC5A2 (0.45) SLC5A2
SCHEMBL14236379 0.83 SLC5A2 (0.45) SLC5A2
SCHEMBL2600479 0.83 SLC5A2 (0.45) SLC5A2
SCHEMBL12070129 0.83 SLC5A2 (0.34) SLC5A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL12650128 0.82 SLC5A2 (0.35) SLC5A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL15888770 0.82 SLC5A2 (0.35) SLC5A2SSTR1SSTR2SSTR4SSTR3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120258913-A1 GLUCOPYRANOSIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-10-11 — — US disclosed
US-8222219-B2 Glucopyranoside compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-07-17 — — US disclosed
US-8202984-B2 Glucopyranoside compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-19 — — US disclosed
US-20120058941-A1 GLUCOPYRANOSIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-08 — — US disclosed
US-7943788-B2 Including the antidiabetic, antiobesity sodium glucose transport inhibitor Canagliflozin (1-( beta -D-glucopyranosyl)-4-methyl-3-[5-(4-fluorophenyl)-2-thienylmethyl]benzene) MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-17 — — US disclosed
US-20110105424-A1 GLUCOPYRANOSIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-05 — — 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 (3 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-20120058941-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 SLC5A2 5/4885ALDH1A1 873/4885SMN1; SMN2 3474/4885
US-20110105424-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 SLC5A2 5/4885ALDH1A1 873/4885SMN1; SMN2 3474/4885
US-20120258913-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 SLC5A2 5/4885ALDH1A1 873/4885SMN1; SMN2 3474/4885

“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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