SCHEMBL12725076

SCHEMBL12725076

CCc1ccc(Cc2cccc([C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.65
▸ PTPN1 P18031 1/20 0.51
▸ SLC5A2 P31639 1/20 0.50
▸ CA12 O43570 7/20 0.46
▸ CA1 P00915 7/20 0.46
▸ CA2 P00918 6/20 0.46
▸ CA9 Q16790 5/20 0.46
▸ CA4 P22748 4/20 0.46
▸ CA5A P35218 4/20 0.46
▸ CA7 P43166 4/20 0.46
▸ CA5B Q9Y2D0 4/20 0.46
▸ CA6 P23280 2/20 0.46
▸ CA13 Q8N1Q1 2/20 0.46
▸ CA14 Q9ULX7 2/20 0.46
▸ LMNA P02545 3/20 0.45
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL12731192 0.93 TSHR (0.76) TSHRPTPN1SLC5A2CA12CA1
SCHEMBL18427873 0.92 TSHR (0.65) TSHRPTPN1CA12CA1CA2
SCHEMBL12509908 0.87 TSHR (0.73) TSHRPTPN1CA12CA1CA2
SCHEMBL5523365 0.87 TSHR (0.73) TSHRPTPN1CA12CA1CA2
SCHEMBL5271015 0.87 TSHR (0.70) TSHRPTPN1SLC5A2CA12CA1
SCHEMBL15269927 0.85 TSHR (0.61) TSHRPTPN1CA12CA1CA2
SCHEMBL15269929 0.85 TSHR (0.61) TSHRPTPN1CA12CA1CA2
SCHEMBL13082383 0.85 TSHR (0.58) TSHRPTPN1SLC5A2CA12CA1
SCHEMBL12425655 0.85 TSHR (0.70) TSHRPTPN1CA12CA1CA2
SCHEMBL12510088 0.85 TSHR (0.70) TSHRPTPN1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243517-A1 METHODS OF PRODUCING C-ARYL GLUCOSIDE SGLT2 INHIBITORS ASTRAZENECA AB (SE) 2014-08-28 — — US disclosed
US-7932379-B2 Methods of producing C-aryl glucoside SGLT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-26 — — US disclosed
US-7375213-B2 inhibitors of sodium dependent glucose transporters found in the intestine and kidney (SGLT2), and more particularly to a process of producing such compounds, for example dapagliflozin BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-20 — — US disclosed
US-20070238866-A1 METHODS OF PRODUCING C-ARYL GLUCOSIDE SGLT2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 — — US disclosed
US-20070238866-A1 METHODS OF PRODUCING C-ARYL GLUCOSIDE SGLT2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 — — 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 (2 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-20070238866-A1 METHODS OF PRODUCING C-ARYL GLUCOSIDE SGLT2 INHIBITORS SLC5A2, SLC5A1, GCG TSHR 3941/4885PTPN1 1048/4885SLC5A2 1/4885
US-20140243517-A1 METHODS OF PRODUCING C-ARYL GLUCOSIDE SGLT2 INHIBITORS SLC5A2, SLC5A1, GCG TSHR 3941/4885PTPN1 1048/4885SLC5A2 1/4885

“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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