SCHEMBL2090127

SCHEMBL2090127

Brc1cccc([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c1Cc1ccc2c(c1)N(Cc1ccccc1)CCO2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.34
CDC25B P30305 8/20 0.34
PTPN2 P17706 6/20 0.34
PTPN11 Q06124 5/20 0.34
PTPN6 P29350 4/20 0.34
HTR1A P08908 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
TACR2 P21452 1/20 0.31
AR P10275 1/20 0.31
SSTR1 P30872 1/20 0.31
SSTR2 P30874 1/20 0.31
SSTR4 P31391 1/20 0.31
SSTR3 P32745 1/20 0.31
SSTR5 P35346 1/20 0.31
NT5E P21589 1/20 0.30
BCHE P06276 1/20 0.30

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
SCHEMBL1670575 0.85 PTPN1 (0.34) PTPN1CDC25BPTPN2PTPN11PTPN6
SCHEMBL1670114 0.82 SLC5A2 (0.40) PTPN1CDC25BPTPN2PTPN11PTPN6
SCHEMBL1670051 0.74
SCHEMBL10228338 0.74 SLC5A2 (0.32) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL10228335 0.72 SLC5A2 (0.42) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL10177180 0.71 SLC5A2 (0.33) AR
SCHEMBL14617884 0.71 SLC5A2 (0.33) AR
SCHEMBL10177178 0.68 SLC5A2 (0.41)
SCHEMBL1671023 0.67 SLC5A2 (0.35) PTPN1CDC25BPTPN2PTPN11PTPN6
SCHEMBL20643063 0.67 SLC5A2 (0.54)

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-8163704-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2012-04-24 US disclosed
US-20110171159-A1 Glycoside Derivatives and Uses Thereof NOVARTIS AG (CH) 2011-07-14 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-20110171159-A1 Glycoside Derivatives and Uses Thereof SLC5A1, SLC5A2, SLC2A1 PTPN1 723/4885CDC25B 4252/4885PTPN2 767/4885

“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.