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Sugi Predict / Compounds / SCHEMBL282123

SCHEMBL282123

SCHEMBL282123

CCC(CC)(Oc1cc(C)c(Cc2ccc(OCOC)c(NS(C)(=O)=O)c2)c(C)c1)P(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 7/20 0.38
▸ THRB P10828 7/20 0.38
▸ CHEK1 O14757 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ RET P07949 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ MET P08581 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ LTK P29376 1/20 0.33
▸ GRK5 P34947 1/20 0.33
▸ KDR P35968 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
SCHEMBL3153400 0.86 THRB (0.54) THRATHRBCHEK1AURKADAPK3
SCHEMBL4210683 0.85 CHEK1 (0.33) THRATHRBCHEK1AURKADAPK3
SCHEMBL282703 0.84 ADRA2A (0.48) THRATHRBADRA2AADRA2BADRA2C
SCHEMBL4210685 0.84 CHEK1 (0.32) THRATHRBCHEK1AURKADAPK3
SCHEMBL282900 0.84 THRB (0.41) THRATHRBNPC1HSD17B10
SCHEMBL282219 0.83 THRB (0.39) THRATHRB
SCHEMBL282094 0.82 THRB (0.39) THRATHRB
SCHEMBL27645383 0.82 ADRA2A (0.41) THRATHRBCHEK1AURKADAPK3
SCHEMBL282220 0.82 THRB (0.40) THRATHRB
SCHEMBL282656 0.82 THRB (0.40) THRATHRB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2428516-A1 Novel phosphorus-containing thyromimetics Metabasis Therapeutics, Inc. (US) 2012-03-14 — — EP 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 (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 6/4885CHEK1 1812/4885
US-20060046980-A1 Novel phosphorus-containing thyromimetics PYGL, THRA, THOP1 THRA 2/4885THRB 6/4885CHEK1 1812/4885
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics PYGL, PHOSPHO1, LIPE THRA 14/4885THRB 41/4885CHEK1 2071/4885

“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.