SCHEMBL2129656

SCHEMBL2129656

N#CCc1cc([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.39
▸ PTPN1 P18031 6/20 0.38
▸ CDC25B P30305 6/20 0.38
▸ PTPN2 P17706 4/20 0.38
▸ PTPN6 P29350 4/20 0.38
▸ PTPN11 Q06124 4/20 0.38
▸ SSTR1 P30872 1/20 0.38
▸ SSTR2 P30874 1/20 0.38
▸ SSTR4 P31391 1/20 0.38
▸ SSTR3 P32745 1/20 0.38
▸ SSTR5 P35346 1/20 0.38
▸ SLC5A2 P31639 2/20 0.37
▸ NT5E P21589 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ TACR2 P21452 1/20 0.35
▸ GJB2 P29033 1/20 0.35

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
SCHEMBL9983888 1.00 HTR1A (0.39) HTR1APTPN1CDC25BPTPN2PTPN6
SCHEMBL9983886 1.00 HTR1A (0.39) HTR1APTPN1CDC25BPTPN2PTPN6
SCHEMBL2130552 1.00 HTR1A (0.39) HTR1APTPN1CDC25BPTPN2PTPN6
SCHEMBL9985624 0.88 SSTR1 (0.40) HTR1APTPN1CDC25BPTPN2PTPN6
SCHEMBL9985621 0.88 SSTR1 (0.40) HTR1APTPN1CDC25BPTPN2PTPN6
SCHEMBL14841706 0.88 SSTR1 (0.40) HTR1APTPN1CDC25BPTPN2PTPN6
SCHEMBL15610890 0.87 PTPN1 (0.43) HTR1APTPN1CDC25BPTPN2PTPN6
SCHEMBL2131297 0.87 PTPN1 (0.43) HTR1APTPN1CDC25BPTPN2PTPN6
SCHEMBL20643059 0.87 PTPN1 (0.43) HTR1APTPN1CDC25BPTPN2PTPN6
SCHEMBL9986263 0.87 PTPN1 (0.43) HTR1APTPN1CDC25BPTPN2PTPN6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586550-B2 Thiazole derivatives as SGLT2 inhibitors and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2013-11-19 — — US disclosed
US-8541380-B2 C-aryl glucoside SGLT2 inhibitors and pharmaceutical compositions comprising same GREEN CROSS CORPORATION (KR) 2013-09-24 — — US disclosed
US-20130090298-A1 Thiazole Derivatives as SGLT2 Inhibitors and Pharmaceutical Composition Comprising Same GREEN CROSS CORPORATION (KR) 2013-04-11 — — 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 (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-20130090298-A1 Thiazole Derivatives as SGLT2 Inhibitors and Pharmaceutical Composition Comprising Same SLC5A2, SLC5A1, SLC10A2 HTR1A 3511/4885PTPN1 179/4885CDC25B 3149/4885
US-20120101051-A1 NOVEL C-ARYL GLUCOSIDE SGLT2 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME SLC5A2, SLC5A1, SLC2A2 HTR1A 3046/4885PTPN1 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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