SCHEMBL2927694

SCHEMBL2927694

CC(C)c1cc(C(C)c2c(Cl)cc(N3C(=O)c4ccccc4C3=O)cc2Cl)n[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 9/20 0.39
THRB P10828 8/20 0.39
PARP1 P09874 1/20 0.37
CYP2C9 P11712 2/20 0.37
UGT1A1 P22309 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
DPP4 P27487 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
CYP2C8 P10632 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
SCHEMBL30820657 0.80 THRA (0.62) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL38650559 0.80 THRA (0.62) THRATHRBPARP1CYP2C9UGT1A1
SCHEMBL2921871 0.80 THRA (0.62) THRATHRBPARP1CYP2C9UGT1A1
SCHEMBL38650596 0.80 THRA (0.56) THRATHRBPARP1CYP2C9UGT1A1
SCHEMBL2925261 0.80 THRA (0.62) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL13116458 0.80 THRA (0.56) THRATHRBPARP1CYP2C9UGT1A1
SCHEMBL21749474 0.79 THRB (0.38) THRATHRBPARP1CYP2C9UGT1A1
SCHEMBL13176158 0.77 THRA (0.56) THRATHRBPARP1CYP2C9UGT1A1
SCHEMBL2927758 0.70 THRA (0.70) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL21749448 0.69 THRB (0.48) THRATHRBCYP2C9UGT1A1ABCG2

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 8 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-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
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
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
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 THRA 1/4885THRB 2/4885PARP1 4804/4885
US-20070032494-A1 Thyroid hormone analogs THRA, THRB, TPO THRA 1/4885THRB 2/4885PARP1 4804/4885

“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.