SCHEMBL667776

SCHEMBL667776

COc1ccc(Cc2c(C)cc(S[Si](C(C)C)(C(C)C)C(C)C)cc2C)cc1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 11/20 0.39
THRA P10827 9/20 0.39
GAA P10253 2/20 0.37
POLB P06746 1/20 0.37
GFER P55789 1/20 0.37
CA2 P00918 1/20 0.36
RORC P51449 1/20 0.34
OPRK1 P41145 1/20 0.34
PDE10A Q9Y233 3/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
BLM P54132 1/20 0.33
CASP6 P55212 1/20 0.33

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
SCHEMBL10105508 0.86 THRB (0.41) THRBTHRA
SCHEMBL7114452 0.80 THRB (0.50) THRBTHRAGAAPOLBGFER
SCHEMBL282445 0.79 THRB (0.49) THRBTHRACA2RORCOPRK1
SCHEMBL666032 0.79 THRB (0.43) THRBTHRAGAAPOLBGFER
SCHEMBL6864460 0.79 THRB (0.48) THRBTHRAGAAPOLBGFER
SCHEMBL10105505 0.75 THRB (0.40) THRBTHRA
SCHEMBL667473 0.74 THRB (0.45) THRBTHRARORCOPRK1ALDH1A1
SCHEMBL282559 0.73 THRB (0.41) THRBTHRA
SCHEMBL6864242 0.73 THRB (0.49) THRBTHRARORCOPRK1KDM4E
SCHEMBL7590192 0.73 ALDH1A1 (0.43) THRBTHRAGAAKDM4EALDH1A1

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 1 patent. 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

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 3/4885GAA 1934/4885

“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.