SCHEMBL12425878

SCHEMBL12425878

c1ccc(COC[C@H]2O[C@@H](c3ccc(-c4ccccc4)c(Cc4cc5ccccc5s4)c3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 7/20 0.44
CHRM1 P11229 1/20 0.43
SLC5A1 P13866 1/20 0.43
ADRA1A P35348 1/20 0.43
SLC6A3 Q01959 1/20 0.43
PTPN1 P18031 5/20 0.37
CDC25B P30305 5/20 0.37
HTR1A P08908 1/20 0.36
NT5E P21589 1/20 0.36
TACR2 P21452 2/20 0.36
PTPN2 P17706 2/20 0.35
PTPN6 P29350 2/20 0.35
PTPN11 Q06124 2/20 0.35
SSTR1 P30872 1/20 0.35
SSTR2 P30874 1/20 0.35
SSTR4 P31391 1/20 0.35
SSTR3 P32745 1/20 0.35
SSTR5 P35346 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
SCHEMBL13201303 1.00 SLC5A2 (0.44) SLC5A2CHRM1SLC5A1ADRA1ASLC6A3
SCHEMBL9908294 0.89 SLC5A2 (0.54) SLC5A2CHRM1SLC5A1ADRA1ASLC6A3
SCHEMBL338218 0.89 SLC5A2 (0.54) SLC5A2CHRM1SLC5A1ADRA1ASLC6A3
SCHEMBL12425949 0.89 SLC5A2 (0.54) SLC5A2CHRM1SLC5A1ADRA1ASLC6A3
SCHEMBL338217 0.89 SLC5A2 (0.54) SLC5A2CHRM1SLC5A1ADRA1ASLC6A3
SCHEMBL12425881 0.89 SLC5A2 (0.55) SLC5A2CHRM1SLC5A1ADRA1ASLC6A3
SCHEMBL12425889 0.88 SLC5A2 (0.47) SLC5A2CHRM1SLC5A1ADRA1ASLC6A3
SCHEMBL12425956 0.88 SLC5A2 (0.56) SLC5A2CHRM1SLC5A1ADRA1ASLC6A3
SCHEMBL5522850 0.86 SLC5A2 (0.53) SLC5A2PTPN1CDC25BHTR1ANT5E
SCHEMBL22330637 0.86 SLC5A2 (0.53) SLC5A2PTPN1CDC25BHTR1ANT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977466-B2 C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2011-07-12 US disclosed
US-20090069252-A1 C-GLYCOSIDE DERIVATIVES AND SALTS THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-12 US disclosed
US-20070161787-A1 C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2007-07-12 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-20070161787-A1 C-glycoside derivatives and salts thereof SLC5A1, SLC5A2, SLC2A1 SLC5A2 2/4885CHRM1 4519/4885SLC5A1 1/4885
US-20090069252-A1 C-GLYCOSIDE DERIVATIVES AND SALTS THEREOF SLC5A1, SLC5A2, SLC2A1 SLC5A2 2/4885CHRM1 4519/4885SLC5A1 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.