SCHEMBL223287

SCHEMBL223287

CC(=O)OCC1OC(c2ccc(Cl)c(C=O)c2)[C@H](OC(C)=O)C(OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.63
PTPN1 P18031 1/20 0.49
CA12 O43570 12/20 0.48
CA1 P00915 11/20 0.48
CA9 Q16790 10/20 0.48
CA2 P00918 10/20 0.48
CA4 P22748 6/20 0.48
CA5A P35218 6/20 0.48
CA7 P43166 6/20 0.48
CA5B Q9Y2D0 6/20 0.48
CA6 P23280 4/20 0.48
CA13 Q8N1Q1 4/20 0.48
CA14 Q9ULX7 4/20 0.48
CYP2D6 P10635 1/20 0.44
THRB P10828 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.41

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
SCHEMBL153334 1.00 TSHR (0.63) TSHRPTPN1CA12CA1CA9
SCHEMBL144705 0.89 TSHR (0.47) TSHRPTPN1CA12CA1CA9
SCHEMBL18466634 0.86 TSHR (0.67) TSHRPTPN1CA12CA1CA9
SCHEMBL4810892 0.86 TSHR (0.67) TSHRPTPN1CA12CA1CA9
SCHEMBL4808238 0.85 TSHR (0.55) TSHRPTPN1CA12CA1CA9
SCHEMBL4805102 0.85 TSHR (0.54) TSHRPTPN1CA12CA1CA9
SCHEMBL222652 0.84 TSHR (0.64) TSHRPTPN1CA12CA1CA9
SCHEMBL2469148 0.84 TSHR (0.64) TSHRPTPN1CA12CA1CA9
SCHEMBL12649999 0.84 TSHR (0.64) TSHRPTPN1CA12CA1CA9
SCHEMBL12334423 0.84 TSHR (0.64) TSHRPTPN1CA12CA1CA9

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 TSHR 4300/4885PTPN1 2620/4885CA12 1329/4885
US-20110105424-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 TSHR 4300/4885PTPN1 2620/4885CA12 1329/4885
US-20120258913-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 TSHR 4300/4885PTPN1 2620/4885CA12 1329/4885

“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.