SCHEMBL499751

SCHEMBL499751

C=Cc1ccc(Cc2cc(C3(O)O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)ccc2Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 8/20 0.40
SLC5A1 P13866 3/20 0.40
NT5E P21589 1/20 0.33
PTPN1 P18031 8/20 0.32
CDC25B P30305 8/20 0.32
HTR1A P08908 1/20 0.31
PTPN2 P17706 4/20 0.30
PTPN6 P29350 4/20 0.30
PTPN11 Q06124 4/20 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
SCHEMBL29940875 0.86 SLC5A2 (0.50) SLC5A2SLC5A1
SCHEMBL1035412 0.86 SLC5A2 (0.50) SLC5A2SLC5A1
SCHEMBL10169592 0.86 SLC5A2 (0.39) SLC5A2SLC5A1
SCHEMBL20139485 0.85 SLC5A2 (0.40) SLC5A2SLC5A1NT5EPTPN1HTR1A
SCHEMBL2174811 0.84 SLC5A2 (0.34) SLC5A2SLC5A1PTPN1CDC25BPTPN2
SCHEMBL2174805 0.84 SLC5A2 (0.34) SLC5A2SLC5A1PTPN1CDC25BPTPN2
SCHEMBL10211087 0.83 SLC5A2 (0.37) SLC5A2SLC5A1
SCHEMBL2865763 0.81 SLC5A2 (0.47) SLC5A2SLC5A1
SCHEMBL1457373 0.81 PTPN1 (0.37) SLC5A2NT5EPTPN1CDC25BHTR1A
SCHEMBL3799697 0.80 SLC5A2 (0.37) SLC5A2SLC5A1NT5EPTPN1CDC25B

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 13 patents. 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
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-8575321-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2013-11-05 US disclosed
US-20120329732-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2012-12-27 US disclosed
US-8106021-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2012-01-31 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
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
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 (4 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 2/4885NT5E 1933/4885
US-20090118201-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE SLC5A2, SLC5A1, SLC2A4 SLC5A2 1/4885SLC5A1 2/4885NT5E 1933/4885
US-20120329732-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE SLC5A2, SLC5A1, SLC2A4 SLC5A2 1/4885SLC5A1 2/4885NT5E 1933/4885
US-20140031300-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE SLC5A2, SLC5A1, SLC2A4 SLC5A2 1/4885SLC5A1 2/4885NT5E 1933/4885

“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.