SCHEMBL499606

SCHEMBL499606

C=CCOCCOc1ccc(Cc2cc(Br)ccc2Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 12/20 0.56
SLC5A1 P13866 8/20 0.56
MAOB P27338 1/20 0.36
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 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
SCHEMBL14248446 0.89 SLC5A2 (0.44) SLC5A2SLC5A1HTR2ASLC6A4KCNH2
SCHEMBL500040 0.86 SLC5A2 (0.42) SLC5A2SLC5A1HTR2ASLC6A4KCNH2
SCHEMBL19494586 0.85 SLC5A2 (0.56) SLC5A2SLC5A1
SCHEMBL10211827 0.84 SLC5A2 (0.44) SLC5A2SLC5A1
SCHEMBL38651021 0.83 L3MBTL1 (0.44) SLC5A2SLC5A1HTR2ASLC6A4KCNH2
SCHEMBL27368089 0.83 L3MBTL1 (0.44) SLC5A2SLC5A1HTR2ASLC6A4KCNH2
SCHEMBL1550961 0.81 SLC5A1 (0.39) SLC5A2SLC5A1MAOBHTR2ASLC6A4
SCHEMBL3677280 0.80 SLC5A2 (0.38) SLC5A2SLC5A1HTR2ASLC6A4KCNH2
SCHEMBL499821 0.79 SLC5A2 (0.54) SLC5A2SLC5A1
SCHEMBL16608734 0.79 PKM (0.46) SLC5A2SLC5A1HTR2ASLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3318562-A2 BENZYLBENZENE DERIVATIVES AND METHODS OF USE Theracos Sub, LLC (US) 2018-05-09 EP disclosed
EP-3318562-A2 BENZYLBENZENE DERIVATIVES AND METHODS OF USE Theracos Sub, LLC (US) 2018-05-09 EP disclosed
EP-2187742-B1 (2S,3R,4R,5S,6R)-2-(4-CHLORO-3-BENZYLPHENYL)-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL DERIVATIVES FOR USE IN THE TREATMENT OF DIABETES THERACOS SUB LLC (US) 2017-10-25 EP disclosed
EP-2187742-B1 (2S,3R,4R,5S,6R)-2-(4-CHLORO-3-BENZYLPHENYL)-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL DERIVATIVES FOR USE IN THE TREATMENT OF DIABETES THERACOS SUB LLC (US) 2017-10-25 EP disclosed
US-8802637-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2014-08-12 US disclosed
US-8802637-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2014-08-12 US disclosed
US-8802637-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2014-08-12 US disclosed
US-20140031300-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2014-01-30 US disclosed
US-20140031300-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2014-01-30 US disclosed
US-20140031300-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2014-01-30 US disclosed
US-20110207661-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2011-08-25 US disclosed
US-7838499-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2010-11-23 US disclosed
US-7838499-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2010-11-23 US disclosed
US-7838499-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2010-11-23 US disclosed
EP-2187742-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE Theracos, Inc. (US) 2010-05-26 EP disclosed
US-20090118201-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOSBIO, LLC 2009-05-07 US disclosed
US-20090118201-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOSBIO, LLC 2009-05-07 US disclosed
US-20090118201-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOSBIO, LLC 2009-05-07 US disclosed
WO-2009026537-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2009-02-26 WO disclosed
WO-2009026537-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2009-02-26 WO 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-20110207661-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE SLC5A2, SLC5A1, SLC2A4 SLC5A2 1/4885SLC5A1 2/4885MAOB 454/4885
US-20090118201-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE SLC5A2, SLC5A1, SLC2A4 SLC5A2 1/4885SLC5A1 2/4885MAOB 454/4885
US-20140031300-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE SLC5A2, SLC5A1, SLC2A4 SLC5A2 1/4885SLC5A1 2/4885MAOB 454/4885

“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.