SCHEMBL666840

SCHEMBL666840

COCOc1ccc(Cc2c(C)cc(OS(=O)(=O)C(F)(F)F)cc2C)cc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 19/20 0.46
THRA P10827 18/20 0.46
OPRK1 P41145 1/20 0.34

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
SCHEMBL25950022 0.93 THRB (0.42) THRBTHRAOPRK1
SCHEMBL3156780 0.90 THRB (0.46) THRBTHRAOPRK1
SCHEMBL666663 0.89 THRB (0.47) THRBTHRAOPRK1
SCHEMBL4214383 0.89 THRB (0.37) THRBTHRAOPRK1
SCHEMBL25950249 0.86 THRB (0.35) THRBTHRAOPRK1
SCHEMBL10105493 0.84 THRB (0.50) THRBTHRA
SCHEMBL283312 0.84 THRB (0.33) THRBTHRA
SCHEMBL282634 0.82 OPRK1 (0.39) THRBTHRAOPRK1
SCHEMBL25950138 0.82 THRB (0.37) THRBTHRA
SCHEMBL3161838 0.82 THRB (0.35) THRBTHRAOPRK1

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-20120046364-A1 Novel Sulfonic Acid-Containing Thyromimetics, and Methods for Their Use METABASIS THERAPEUTICS, INC. (US) 2012-02-23 US disclosed
US-20120046364-A1 Novel Sulfonic Acid-Containing Thyromimetics, and Methods for Their Use METABASIS THERAPEUTICS, INC. (US) 2012-02-23 US disclosed
WO-2010093601-A1 NOVEL SULFONIC ACID-CONTAINING THYROMIMETICS, AND METHODS FOR THEIR USE METABASIS THERAPEUTICS, INC. (US) 2010-08-19 WO disclosed
WO-2010093601-A1 NOVEL SULFONIC ACID-CONTAINING THYROMIMETICS, AND METHODS FOR THEIR USE METABASIS THERAPEUTICS, INC. (US) 2010-08-19 WO 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
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 (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 THRB 6/4885THRA 2/4885OPRK1 2455/4885
US-20120046364-A1 Novel Sulfonic Acid-Containing Thyromimetics, and Methods for Their Use THRB, TSHR, THRA THRB 1/4885THRA 3/4885OPRK1 1378/4885
US-20060046980-A1 Novel phosphorus-containing thyromimetics PYGL, THRA, THOP1 THRB 6/4885THRA 2/4885OPRK1 2455/4885
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics PYGL, PHOSPHO1, LIPE THRB 41/4885THRA 14/4885OPRK1 3081/4885

“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.