SCHEMBL666032

SCHEMBL666032

COc1ccc(Cc2c(C)cc(S)cc2C)cc1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 12/20 0.43
THRA P10827 10/20 0.43
CA2 P00918 1/20 0.41
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
GFER P55789 1/20 0.39
RORC P51449 1/20 0.38
CETP P11597 1/20 0.37
OPRK1 P41145 1/20 0.37
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL7114452 0.87 THRB (0.50) THRBTHRACA2GAAPOLB
SCHEMBL6864460 0.86 THRB (0.48) THRBTHRACA2GAAPOLB
SCHEMBL282445 0.86 THRB (0.49) THRBTHRACA2RORCCETP
SCHEMBL10105507 0.83 THRB (0.47) THRBTHRA
SCHEMBL667473 0.80 THRB (0.45) THRBTHRARORCOPRK1ALDH1A1
SCHEMBL667776 0.79 THRB (0.39) THRBTHRACA2GAAPOLB
SCHEMBL7590192 0.79 ALDH1A1 (0.43) THRBTHRAGAAALDH1A1ALOX12
SCHEMBL6864242 0.79 THRB (0.49) THRBTHRARORCOPRK1
SCHEMBL7599524 0.77 THRB (0.47) THRBTHRAOPRK1
SCHEMBL26661435 0.77 CNR2 (0.45) THRBCA2GAAPOLBGFER

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
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

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 3/4885CA2 2873/4885

“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.