SCHEMBL3149161

SCHEMBL3149161

COP(=O)(CCc1cc(C)c(Cc2ccc(O)c(Cc3ccc(F)cc3)c2)c(C)c1)OC

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRA P10827 14/20 0.49
THRB P10828 14/20 0.49
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
HSP90AA1 P07900 1/20 0.37
HSP90B1 P14625 1/20 0.37
ESR1 P03372 1/20 0.35
ESR2 Q92731 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
SCHEMBL3149062 0.90 THRA (0.51) THRATHRBPTGS1PTGS2HSP90AA1
SCHEMBL3153210 0.89 THRA (0.62) THRATHRBPTGS1PTGS2HSP90AA1
SCHEMBL13703151 0.88 THRA (0.52) THRATHRBPTGS1PTGS2HSP90AA1
SCHEMBL4214212 0.87 THRA (0.54) THRATHRBPTGS1PTGS2HSP90AA1
SCHEMBL3153460 0.85 THRA (0.43) THRATHRBPTGS1PTGS2HSP90AA1
SCHEMBL3147512 0.83 THRA (0.37) THRATHRBPTGS1PTGS2
SCHEMBL13703154 0.81 THRA (0.47) THRATHRBPTGS1PTGS2HSP90AA1
SCHEMBL4215935 0.80 THRA (0.49) THRATHRBPTGS1PTGS2HSP90AA1
SCHEMBL3156313 0.79 THRA (0.46) THRATHRBHSP90AA1HSP90B1
SCHEMBL1458123 0.79 THRB (0.54) THRATHRBHSP90AA1HSP90B1ESR1

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
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
CN-101180097-A Novel phosphinic acid-containing thyromimetics METABASIS THERAPEUTICS INC (US) 2008-05-14 CN 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 THRA 2/4885THRB 6/4885PTGS1 1560/4885
US-20060046980-A1 Novel phosphorus-containing thyromimetics PYGL, THRA, THOP1 THRA 2/4885THRB 6/4885PTGS1 1560/4885
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics PYGL, PHOSPHO1, LIPE THRA 14/4885THRB 41/4885PTGS1 1364/4885

“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.