SCHEMBL2927243

SCHEMBL2927243

CC(C)c1cc(Cc2c(Br)cc(CC#N)cc2Br)n[nH]c1=O

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 16/20 0.68
THRA P10827 15/20 0.68
CSNK2A1 P68400 1/20 0.32
KDM5B Q9UGL1 2/20 0.32
CYP2C8 P10632 1/20 0.31
CYP2C9 P11712 1/20 0.31
CCR2 P41597 1/20 0.30
CCR5 P51681 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
SCHEMBL2930008 0.86 THRB (0.68) THRBTHRACYP2C8CYP2C9
SCHEMBL2928883 0.84 THRB (0.72) THRBTHRACCR2CCR5
SCHEMBL2925259 0.81 THRB (1.00) THRBTHRA
SCHEMBL13176224 0.79 THRB (0.79) THRBTHRA
SCHEMBL21749446 0.75 THRB (0.59) THRBTHRACCR2
SCHEMBL13116390 0.74 THRB (0.65) THRBTHRACYP2C8CYP2C9
SCHEMBL13176229 0.74 THRB (0.85) THRBTHRA
SCHEMBL2929101 0.74 THRB (0.68) THRBTHRA
SCHEMBL2927246 0.72 THRB (0.72) THRBTHRA
SCHEMBL28564477 0.71 THRB (0.65) THRBTHRACYP2C8CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46024-E1 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2016-06-07 US disclosed
US-RE46024-E1 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2016-06-07 US disclosed
US-RE46024-E1 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2016-06-07 US disclosed
US-7807674-B2 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2010-10-05 US disclosed
US-7807674-B2 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2010-10-05 US disclosed
US-7807674-B2 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2010-10-05 US disclosed
EP-1919878-B1 PYRIDAZINONE DERIVATIVES AS THYROID HORMONE RECEPTOR AGONISTS HOFFMANN LA ROCHE (CH) 2010-09-08 EP disclosed
EP-1919878-B1 PYRIDAZINONE DERIVATIVES AS THYROID HORMONE RECEPTOR AGONISTS HOFFMANN LA ROCHE (CH) 2010-09-08 EP disclosed
US-20090005383-A1 THYROID HORMONE ANALOGS HOFFMANN-LA ROCHE INC. 2009-01-01 US disclosed
US-20090005383-A1 THYROID HORMONE ANALOGS HOFFMANN-LA ROCHE INC. 2009-01-01 US disclosed
US-20090005383-A1 THYROID HORMONE ANALOGS HOFFMANN-LA ROCHE INC. 2009-01-01 US disclosed
US-7452882-B2 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2008-11-18 US disclosed
US-7452882-B2 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2008-11-18 US disclosed
US-7452882-B2 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2008-11-18 US disclosed
EP-1919878-A1 PYRIDAZINONE DERIVATIVES AS THYROID HORMONE RECEPTOR AGONISTS F. Hoffmann-Roche AG (CH) 2008-05-14 EP disclosed
US-20070032494-A1 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. 2007-02-08 US disclosed
US-20070032494-A1 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. 2007-02-08 US disclosed
US-20070032494-A1 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. 2007-02-08 US disclosed
WO-2007009913-A1 PYRIDAZINONE DERIVATIVES AS THYROID HORMONE RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-25 WO disclosed
WO-2007009913-A1 PYRIDAZINONE DERIVATIVES AS THYROID HORMONE RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-25 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 (2 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-20090005383-A1 THYROID HORMONE ANALOGS THRA, THRB, TPO THRB 2/4885THRA 1/4885CSNK2A1 4322/4885
US-20070032494-A1 Thyroid hormone analogs THRA, THRB, TPO THRB 2/4885THRA 1/4885CSNK2A1 4322/4885

“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.