SCHEMBL282502

SCHEMBL282502

CC(C)(O)CC(O)c1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 7/20 0.46
▸ ADRB1 P08588 6/20 0.46
▸ ADRB2 P07550 4/20 0.46
▸ SLC2A1 P11166 2/20 0.45
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ IDO1 P14902 2/20 0.41
▸ LMNA P02545 1/20 0.40
▸ ACP3 P15309 1/20 0.39

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
SCHEMBL3482807 0.78 LMNA (0.57) ADRB3ADRB1ADRB2SLC2A1SLC6A2
SCHEMBL11981327 0.78 AOC3 (0.50) ADRB2SLC6A2SLC6A4LMNA
SCHEMBL867222 0.78 LMNA (0.57) ADRB3ADRB1ADRB2SLC2A1SLC6A2
SCHEMBL3482675 0.78 LMNA (0.57) ADRB3ADRB1ADRB2SLC2A1SLC6A2
SCHEMBL1154749 0.77 ADRB3 (0.49) ADRB3ADRB1ADRB2SLC2A1IDO1
SCHEMBL2879198 0.77 ADRB3 (0.49) ADRB3ADRB1ADRB2SLC2A1IDO1
SCHEMBL3196437 0.77 RIPK1 (0.57) SLC6A2SLC6A4LMNA
SCHEMBL767795 0.77 ADRB3 (0.49) ADRB3ADRB1ADRB2SLC2A1IDO1
SCHEMBL9640850 0.77 ADRB2 (0.56) ADRB3ADRB1ADRB2SLC6A2SLC6A4
SCHEMBL3917396 0.76 ADRB3 (0.48) ADRB3ADRB1ADRB2SLC2A1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689383-B1 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS INC (US) 2012-10-31 — — EP disclosed
EP-2428516-A1 Novel phosphorus-containing thyromimetics Metabasis Therapeutics, Inc. (US) 2012-03-14 — — EP disclosed
US-7829552-B2 Phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. (US) 2010-11-09 — — US disclosed
US-20100081634-A1 Novel Phosphorus-Containing Thyromimetics METABASIS THERAPEUTICS, INC. (US) 2010-04-01 — — US disclosed
US-20090118236-A1 Novel Phosphorus-Containing Thyromimetics CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2009-05-07 — — US disclosed
US-7514419-B2 Phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. (US) 2009-04-07 — — US disclosed
EP-1689383-A4 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS INC (US) 2009-02-18 — — EP disclosed
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics METABASIS THERAPEUTICS, INC. 2009-01-29 — — US disclosed
EP-1891080-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2008-02-27 — — EP disclosed
EP-1890768-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2008-02-27 — — EP disclosed
WO-2006128056-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2006-11-30 — — WO disclosed
WO-2006128055-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2006-11-30 — — WO disclosed
EP-1689383-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2006-08-16 — — EP disclosed
US-20060046980-A1 Novel phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. 2006-03-02 — — US disclosed
WO-2005051298-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2005-06-09 — — 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 (4 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-20100081634-A1 Novel Phosphorus-Containing Thyromimetics PYGL, THRA, THOP1 ADRB3 1247/4885ADRB1 2591/4885ADRB2 3429/4885
US-20060046980-A1 Novel phosphorus-containing thyromimetics PYGL, THRA, THOP1 ADRB3 1247/4885ADRB1 2591/4885ADRB2 3429/4885
US-20090118236-A1 Novel Phosphorus-Containing Thyromimetics THRA, PYGL, THRB ADRB3 1276/4885ADRB1 2349/4885ADRB2 3333/4885
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics PYGL, PHOSPHO1, LIPE ADRB3 1960/4885ADRB1 3052/4885ADRB2 3914/4885

“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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