Detrothyronine

Detrothyronine

SCHEMBL21749451

N[C@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O.[NaH]

nearest known ligand 0.97

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

THRATHRB

The experimentally established mechanism targets of Detrothyronine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 14/20 0.97
THRA known ✓ P10827 10/20 0.97
LMNA P02545 6/20 0.97
MEN1 O00255 6/20 0.97
KMT2A Q03164 6/20 0.97
PCNA P12004 4/20 0.97
PPARG P37231 4/20 0.97
ABCB11 O95342 2/20 0.97
GABRA1 P14867 2/20 0.97
GABRA2 P47869 2/20 0.97
GABRB2 P47870 2/20 0.97
CYP2D6 P10635 1/20 0.97
TSHR P16473 1/20 0.97
GABRP O00591 1/20 0.97
GABRD O14764 1/20 0.97
F2 P00734 1/20 0.97
GABRB1 P18505 1/20 0.97
GABRG2 P18507 1/20 0.97
GABRB3 P28472 1/20 0.97
ADORA1 P30542 1/20 0.97

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
Liothyronine SCHEMBL387012 1.00 THRB (0.97) THRBTHRALMNAMEN1KMT2A
Detrothyronine SCHEMBL29651848 0.99 THRB (1.00) THRBTHRALMNAMEN1KMT2A
Liothyronine SCHEMBL3287278 0.99 THRB (1.00) THRBTHRALMNAMEN1KMT2A
Detrothyronine SCHEMBL8301 0.99 THRB (1.00) THRBTHRALMNAMEN1KMT2A
Rathyronine SCHEMBL123365 0.99 THRB (1.00) THRBTHRALMNAMEN1KMT2A
Detrothyronine SCHEMBL29383803 0.99 THRB (1.00) THRBTHRALMNAMEN1KMT2A
Liothyronine SCHEMBL8300 0.99 THRB (1.00) THRBTHRALMNAMEN1KMT2A
Liothyronine SCHEMBL29390909 0.99 THRB (1.00) THRBTHRALMNAMEN1KMT2A
Detrothyronine SCHEMBL4608153 0.97 THRB (0.97) THRBTHRALMNAMEN1KMT2A
Liothyronine SCHEMBL2679283 0.97 THRB (0.97) THRBTHRALMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240059682-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS TERNS PHARMACEUTICALS, INC. 2024-02-22 US disclosed
WO-2023190745-A1 CONJUNCTIVAL EPITHELIUM MARKER AND USE FOR SAME 国立大学法人大阪大学 2023-10-05 WO disclosed
EP-4017875-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS Terns Pharmaceuticals, Inc. (US) 2022-06-29 EP disclosed
US-11203587-B2 Thyroid hormone receptor beta agonist compounds Terns, Inc. (US) 2021-12-21 US disclosed
EP-3863635-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS Terns, Inc. (US) 2021-08-18 EP disclosed
EP-3840755-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS Terns, Inc. (US) 2021-06-30 EP disclosed
WO-2021041237-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS Terns, Inc. (US) 2021-03-04 WO disclosed
US-10800767-B2 Thyroid hormone receptor beta agonist compounds Terns, Inc. (US) 2020-10-13 US disclosed
US-20200115362-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS TERNS PHARMACEUTICALS, INC. (KY) 2020-04-16 US disclosed
WO-2020041741-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS Terns, Inc. (US) 2020-02-27 WO disclosed
US-20200062742-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS Terns, Inc. 2020-02-27 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 (5 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-20200062742-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS THRB, THRA, TSHR THRB 1/4885THRA 2/4885LMNA 2156/4885
US-20200115362-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS THRB, THRA, TSHR THRB 1/4885THRA 2/4885LMNA 2210/4885
US-20240059682-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS THRB, THRA, TSHR THRB 1/4885THRA 2/4885LMNA 2070/4885
US-11203587-B2 Thyroid hormone receptor beta agonist compounds THRB, THRA, TSHR THRB 1/4885THRA 2/4885LMNA 2210/4885
US-10800767-B2 Thyroid hormone receptor beta agonist compounds THRB, THRA, TSHR THRB 1/4885THRA 2/4885LMNA 2156/4885

“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.