SCHEMBL1856296

SCHEMBL1856296

Cc1sc2c(C)cccc2c1B(O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.38
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.32
HCRTR1 O43613 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PLAU P00749 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
SCHEMBL142551 0.77 CYP1A2 (0.55) CYP2A6CYP1A2ALDH1A1MAPTHCRTR1
SCHEMBL29364650 0.77 CYP1A2 (0.55) CYP2A6CYP1A2ALDH1A1MAPTHCRTR1
Hydrogen Sulfide SCHEMBL28590036 0.75 CYP1A2 (0.52) CYP2A6CYP1A2ALDH1A1MAPTHCRTR1
SCHEMBL2112713 0.74 CYP1A2 (0.46) CYP2A6CYP1A2ALDH1A1MAPTHCRTR1
SCHEMBL15497403 0.73 CYP1A2 (0.50) CYP2A6CYP1A2ALDH1A1MAPTHCRTR1
SCHEMBL498434 0.73 MAPT (0.46) CYP1A2ALDH1A1MAPTHCRTR1LMNA
SCHEMBL61913 0.72 ALDH1A1 (0.50) CYP2A6CYP1A2ALDH1A1
SCHEMBL24343664 0.71 TRPA1 (0.46) CYP2A6CYP1A2ALDH1A1MAPTHCRTR1
SCHEMBL1856293 0.70 ALDH1A1 (0.33) ALDH1A1MAPTPLAU
SCHEMBL20694978 0.70 ALDH1A1 (0.48) CYP2A6CYP1A2ALDH1A1

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 10 patents. 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
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
US-7772407-B2 C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2010-08-10 US disclosed
US-20090069252-A1 C-GLYCOSIDE DERIVATIVES AND SALTS THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-12 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-7202350-B2 C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2007-04-10 US 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 (3 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 CYP2A6 2393/4885CYP1A2 1601/4885ALDH1A1 1354/4885
US-20060122126-A1 C-glycoside derivatives and salts thereof SLC5A1, SLC5A2, SLC2A1 CYP2A6 2393/4885CYP1A2 1601/4885ALDH1A1 1354/4885
US-20090069252-A1 C-GLYCOSIDE DERIVATIVES AND SALTS THEREOF SLC5A1, SLC5A2, SLC2A1 CYP2A6 2393/4885CYP1A2 1601/4885ALDH1A1 1354/4885

“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.