SCHEMBL3677366

SCHEMBL3677366

[2H]C([2H])(C)c1ccc(C([2H])([2H])c2cc([C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)[C@@H]3O)ccc2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 20/20 0.50
SLC5A1 P13866 17/20 0.50
ADRA2A P08913 1/20 0.38
SLC5A11 Q8WWX8 1/20 0.38

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
SCHEMBL3683558 0.93 SLC5A2 (0.50) SLC5A2SLC5A1
SCHEMBL3677582 0.91 SLC5A2 (0.48) SLC5A2SLC5A1
SCHEMBL3673975 0.91 SLC5A2 (0.53) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL3680192 0.88 SLC5A2 (0.50) SLC5A2SLC5A1
SCHEMBL3678779 0.86 SLC5A2 (0.66) SLC5A2SLC5A1
SCHEMBL48101 0.81 SLC5A2 (0.64) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL3717352 0.81 SLC5A2 (0.64) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL13445670 0.81 SLC5A2 (0.51) SLC5A2SLC5A1
SCHEMBL48179 0.79 SLC5A2 (0.53) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL13823323 0.77 SLC5A2 (0.65) SLC5A2SLC5A1ADRA2ASLC5A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2312944-B1 DEUTERATED BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS INC (US) 2018-09-05 EP disclosed
US-9061060-B2 Deuterated benzylbenzene derivatives and methods of use THERACOS INC. (US) 2015-06-23 US disclosed
US-20100063141-A1 DEUTERATED BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2010-03-11 US disclosed
US-20100063141-A1 DEUTERATED BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2010-03-11 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-20100063141-A1 DEUTERATED BENZYLBENZENE DERIVATIVES AND METHODS OF USE SLC5A1, SLC5A2, SLC2A4 SLC5A2 2/4885SLC5A1 1/4885ADRA2A 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.