SCHEMBL282703

SCHEMBL282703

CCC(CC)(Oc1cc(C)c(Cc2ccc(O)c(NS(C)(=O)=O)c2)c(C)c1)P(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.48
ADRA2B P18089 2/20 0.48
ADRA2C P18825 2/20 0.48
ADRA1A P35348 2/20 0.48
THRA P10827 9/20 0.47
THRB P10828 9/20 0.47
ADRB3 P13945 9/20 0.40

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
SCHEMBL282686 0.85 THRB (0.48) THRATHRB
SCHEMBL282123 0.84 THRA (0.38) ADRA2AADRA2BADRA2CADRA1ATHRA
SCHEMBL282702 0.83 THRA (0.69) ADRA2AADRA2BADRA2CADRA1ATHRA
SCHEMBL282370 0.82 THRB (0.47) THRATHRB
SCHEMBL13381700 0.80 THRA (0.56) ADRA2AADRA2BADRA2CADRA1ATHRA
SCHEMBL3159430 0.80 THRB (0.67) THRATHRB
SCHEMBL286825 0.80 THRA (0.49) THRATHRB
SCHEMBL282558 0.80 THRB (0.49) THRATHRB
SCHEMBL282421 0.80 THRB (0.53) THRATHRB
SCHEMBL22071770 0.80 THRA (0.55) ADRA2AADRA2BADRA2CADRA1ATHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2428516-A1 Novel phosphorus-containing thyromimetics Metabasis Therapeutics, Inc. (US) 2012-03-14 EP disclosed
US-20100081634-A1 Novel Phosphorus-Containing Thyromimetics METABASIS THERAPEUTICS, INC. (US) 2010-04-01 US disclosed
US-7514419-B2 Phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. (US) 2009-04-07 US 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
US-20060046980-A1 Novel phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. 2006-03-02 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 (3 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 ADRA2A 3338/4885ADRA2B 3613/4885ADRA2C 2738/4885
US-20060046980-A1 Novel phosphorus-containing thyromimetics PYGL, THRA, THOP1 ADRA2A 3338/4885ADRA2B 3613/4885ADRA2C 2738/4885
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics PYGL, PHOSPHO1, LIPE ADRA2A 3672/4885ADRA2B 3960/4885ADRA2C 3196/4885

“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.