SCHEMBL2927861

SCHEMBL2927861

CC(C)c1cc(Sc2c(Cl)cc(-n3nc(C#N)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 19/20 0.68
▸ THRB P10828 19/20 0.68
▸ CYP2C9 P11712 2/20 0.68
▸ CYP2C8 P10632 1/20 0.68
▸ UGT1A1 P22309 1/20 0.48
▸ ABCG2 Q9UNQ0 1/20 0.48
▸ SLCO1B1 Q9Y6L6 1/20 0.48

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
SCHEMBL13116462 0.86 THRA (0.68) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL28667323 0.83 THRA (0.58) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL2927153 0.83 THRA (0.68) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL2927758 0.82 THRA (0.70) THRATHRBCYP2C9CYP2C8UGT1A1
Resmetirom SCHEMBL2927241 0.81 THRA (1.00) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL2920565 0.81 THRA (1.00) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL2921624 0.80 THRB (0.66) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL2924728 0.80 THRA (0.67) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL23259848 0.79 THRA (0.66) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL23259849 0.79 THRA (0.66) THRATHRBCYP2C9CYP2C8UGT1A1

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 THRA 1/4885THRB 2/4885CYP2C9 746/4885
US-20070032494-A1 Thyroid hormone analogs THRA, THRB, TPO THRA 1/4885THRB 2/4885CYP2C9 746/4885

“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.

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