SCHEMBL3680179

SCHEMBL3680179

CCc1ccc(Cc2cc(Br)c(O)cc2Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 12/20 0.49
SLC5A1 P13866 7/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SNCA P37840 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
NLRP1 Q9C000 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TRPA1 O75762 1/20 0.39
CCR6 P51684 1/20 0.37

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
SCHEMBL13683350 0.87 SLC5A2 (0.49) SLC5A2SLC5A1SNCAMEN1KMT2A
SCHEMBL14248461 0.84 SLC5A2 (0.54) SLC5A2SLC5A1
SCHEMBL3679953 0.83 SLC5A2 (0.43) SLC5A2SLC5A1
SCHEMBL3682044 0.81 SLC5A2 (0.42) SLC5A2SLC5A1
SCHEMBL3674512 0.81 SLC5A2 (0.39) SLC5A2SLC5A1
SCHEMBL27792574 0.79 SLC5A2 (0.38) SLC5A2SLC5A1
SCHEMBL3803080 0.78 LMNA (0.41) SLC5A2SLC5A1ALDH1A1SMN1; SMN2LMNA
SCHEMBL1539290 0.78 SLC5A2 (0.52) SLC5A2SLC5A1ALDH1A1
SCHEMBL3798647 0.77 SLC5A2 (0.37) SLC5A2SLC5A1LMNAMAPK1NLRP1
SCHEMBL27792576 0.77 SLC5A2 (0.36) SLC5A2SLC5A1LMNAMAPK1NLRP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2064222-B1 BENZYLIC GLYCOSIDE DERIVATIVES AND METHODS OF USE THERACOS INC (US) 2014-05-07 EP disclosed
EP-2064222-B1 BENZYLIC GLYCOSIDE DERIVATIVES AND METHODS OF USE THERACOS INC (US) 2014-05-07 EP disclosed
US-7838498-B2 Benzylic glycoside derivatives and methods of use THERACOS, INC. (US) 2010-11-23 US disclosed
US-7838498-B2 Benzylic glycoside derivatives and methods of use THERACOS, INC. (US) 2010-11-23 US disclosed
US-7838498-B2 Benzylic glycoside derivatives and methods of use THERACOS, INC. (US) 2010-11-23 US disclosed
CN-101652377-A Benzylated glycoside derivatives and methods of use thereof THERACOS INC US 2010-02-17 CN disclosed
EP-2064222-A1 BENZYLIC GLYCOSIDE DERIVATIVES AND METHODS OF USE Theracos, Inc. (US) 2009-06-03 EP disclosed
WO-2008122014-A1 BENZYLIC GLYCOSIDE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2008-10-09 WO disclosed
WO-2008122014-A1 BENZYLIC GLYCOSIDE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2008-10-09 WO disclosed
US-20080242596-A1 BENZYLIC GLYCOSIDE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2008-10-02 US disclosed
US-20080242596-A1 BENZYLIC GLYCOSIDE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2008-10-02 US disclosed
US-20080242596-A1 BENZYLIC GLYCOSIDE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2008-10-02 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-20080242596-A1 BENZYLIC GLYCOSIDE DERIVATIVES AND METHODS OF USE SLC5A2, SLC5A1, SLC2A1 SLC5A2 1/4885SLC5A1 2/4885KDM4E 2141/4885

“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.