SCHEMBL2129610

SCHEMBL2129610

NNC(=O)Cc1cc([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.42
▸ PTPN1 P18031 10/20 0.41
▸ CDC25B P30305 8/20 0.41
▸ PTPN2 P17706 6/20 0.41
▸ PTPN11 Q06124 6/20 0.41
▸ PTPN6 P29350 5/20 0.41
▸ BCHE P06276 1/20 0.41
▸ CDC25A P30304 1/20 0.39
▸ TACR2 P21452 2/20 0.39
▸ OPRM1 P35372 1/20 0.38
▸ SSTR4 P31391 2/20 0.38
▸ SSTR1 P30872 1/20 0.37
▸ SSTR2 P30874 1/20 0.37
▸ SSTR3 P32745 1/20 0.37
▸ SSTR5 P35346 1/20 0.37

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
SCHEMBL2133682 0.90 PTPN1 (0.43) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL2130587 0.89 BCHE (0.37) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL2131750 0.89 BCHE (0.41) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL2130169 0.88 BCHE (0.43) NT5EPTPN1CDC25BPTPN2PTPN11
Hydrochloric Acid SCHEMBL9984358 0.87 PTPN1 (0.41) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL2130715 0.85 PTPN1 (0.39) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL2600127 0.85 SLC5A2 (0.40) —
SCHEMBL2131297 0.85 PTPN1 (0.43) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL20643059 0.85 PTPN1 (0.43) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL15610890 0.85 PTPN1 (0.43) NT5EPTPN1CDC25BPTPN2PTPN11

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-8541380-B2 C-aryl glucoside SGLT2 inhibitors and pharmaceutical compositions comprising same GREEN CROSS CORPORATION (KR) 2013-09-24 — — US disclosed
US-20120101051-A1 NOVEL C-ARYL GLUCOSIDE SGLT2 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME GREEN CROSS CORPORATION (KR) 2012-04-26 — — 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-20120101051-A1 NOVEL C-ARYL GLUCOSIDE SGLT2 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME SLC5A2, SLC5A1, SLC2A2 NT5E 3676/4885PTPN1 197/4885CDC25B 2129/4885

“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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