SCHEMBL666284

SCHEMBL666284

Cc1cc(S(=O)(=O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 17/20 0.62
THRA P10827 16/20 0.62
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL10105511 0.89 THRB (0.48) THRBTHRAESR2HTT
SCHEMBL664208 0.85 THRB (0.64) THRBTHRAESR1ESR2
SCHEMBL667473 0.83 THRB (0.45) THRBTHRAALDH1A1HTT
SCHEMBL282002 0.83 THRB (0.67) THRBTHRA
SCHEMBL25773018 0.83 THRB (0.71) THRBTHRAESR1ESR2LMNA
SCHEMBL328377 0.83 THRB (0.67) THRBTHRAESR1ESR2
SCHEMBL13381717 0.82 THRB (0.60) THRBTHRA
SCHEMBL667308 0.81 THRB (0.69) THRBTHRA
SCHEMBL27666369 0.81 THRB (0.61) THRBTHRA
SCHEMBL1457668 0.80 THRB (0.67) THRBTHRAESR1ESR2

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 4 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120046364-A1 Novel Sulfonic Acid-Containing Thyromimetics, and Methods for Their Use THRB, TSHR, THRA THRB 1/4885THRA 3/4885ESR1 395/4885

“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.