SCHEMBL1854869

SCHEMBL1854869

COCOc1ccc(Cc2cc3ccccc3s2)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 6/20 0.47
CYP2A6 P11509 3/20 0.43
ADRB2 P07550 1/20 0.43
ADRA1D P25100 2/20 0.40
AGXT P21549 1/20 0.40
ASIC3 Q9UHC3 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
IDH1 O75874 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MAPT P10636 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
CTRC Q99895 1/20 0.35
NAMPT P43490 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
SCHEMBL1539306 0.87 SLC5A2 (0.55) SLC5A2CYP2A6ADRB2ADRA1DAGXT
SCHEMBL12425703 0.83 CYP2A6 (0.43) SLC5A2CYP2A6ADRB2ADRA1DAGXT
SCHEMBL14049004 0.78 SLC5A2 (0.45) SLC5A2CYP2A6ADRB2ADRA1DAGXT
SCHEMBL6959919 0.78 SLC5A2 (0.61) SLC5A2CYP2A6ADRB2ADRA1DAGXT
SCHEMBL154792 0.78 CYP2A6 (0.50) SLC5A2CYP2A6ADRB2ADRA1DAGXT
SCHEMBL7337103 0.78 SLC5A2 (0.61) SLC5A2CYP2A6ADRB2ADRA1DAGXT
SCHEMBL12772142 0.77 MAPT (0.46) MEN1POLBKMT2AIDH1MAPT
SCHEMBL154663 0.75 SLC5A2 (0.53) SLC5A2CYP2A6ADRB2ADRA1DAGXT
SCHEMBL14562916 0.75 SLC5A2 (0.53) SLC5A2CYP2A6ADRB2ADRA1DAGXT
SCHEMBL5430708 0.74 MAPT (0.43) SLC5A2MEN1POLBKMT2AMAPT

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1609785-B1 C-GLYCOSIDE DERIVATIVES AND SALTS THEREOF ASTELLAS PHARMA INC (JP) 2016-02-03 EP disclosed
EP-1609785-B1 C-GLYCOSIDE DERIVATIVES AND SALTS THEREOF ASTELLAS PHARMA INC (JP) 2016-02-03 EP disclosed
US-7977466-B2 C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2011-07-12 US disclosed
US-7977466-B2 C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2011-07-12 US disclosed
US-7977466-B2 C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2011-07-12 US disclosed
EP-1980560-B1 C-glycoside derivatives for the treatment of diabetes ASTELLAS PHARMA INC (JP) 2011-05-25 EP disclosed
CN-1802366-B C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC 2010-12-22 CN disclosed
US-7772407-B2 C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2010-08-10 US disclosed
US-7772407-B2 C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2010-08-10 US disclosed
US-7772407-B2 C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2010-08-10 US disclosed
EP-1980560-A2 C-glycoside derivatives for the treatment of diabetes Astellas Pharma Inc. (JP) 2008-10-15 EP disclosed
US-20070161787-A1 C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2007-07-12 US disclosed
US-20070161787-A1 C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2007-07-12 US disclosed
US-20070161787-A1 C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2007-07-12 US disclosed
US-7202350-B2 C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2007-04-10 US disclosed
US-7202350-B2 C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2007-04-10 US disclosed
US-7202350-B2 C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2007-04-10 US disclosed
CN-1802366-A C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC (JP) 2006-07-12 CN disclosed
US-20060122126-A1 C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2006-06-08 US disclosed
EP-1609785-A1 C-GLYCOSIDE DERIVATIVES AND SALTS THEREOF Astellas Pharma Inc. (JP) 2005-12-28 EP 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 2/4885CYP2A6 2393/4885ADRB2 3076/4885
US-20060122126-A1 C-glycoside derivatives and salts thereof SLC5A1, SLC5A2, SLC2A1 SLC5A2 2/4885CYP2A6 2393/4885ADRB2 3076/4885

“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.