SCHEMBL282943

SCHEMBL282943

COCOc1ccc(CCS(=O)(=O)c2c(C)cccc2C)cc1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.37
PTPN1 P18031 1/20 0.33
NPSR1 Q6W5P4 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA5A P35218 1/20 0.31

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
SCHEMBL282560 0.77 KCNH2 (0.36) KCNH2PTPN1MEN1KMT2ALMNA
SCHEMBL282942 0.74 THRB (0.45) HTTPTGDR2THRBTHRA
SCHEMBL28978485 0.70 THRB (0.44) MEN1KMT2ASMN1; SMN2HTTPOLB
SCHEMBL27666355 0.69 MEN1 (0.33) MEN1KMT2ALMNABCHEACHE
SCHEMBL282283 0.69 THRB (0.39) CA2THRBTHRA
SCHEMBL24133302 0.68 LMNA (0.40) NPSR1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL281944 0.68 THRB (0.39) THRBTHRA
SCHEMBL285893 0.68 THRB (0.37) THRBTHRA
SCHEMBL3149020 0.68 THRB (0.48) HTTTHRBTHRA
SCHEMBL282197 0.68 TUBB4A (0.36) LMNATHRBTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689383-B1 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS INC (US) 2012-10-31 EP disclosed
EP-2428516-A1 Novel phosphorus-containing thyromimetics Metabasis Therapeutics, Inc. (US) 2012-03-14 EP disclosed
US-7829552-B2 Phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. (US) 2010-11-09 US disclosed
US-20100081634-A1 Novel Phosphorus-Containing Thyromimetics METABASIS THERAPEUTICS, INC. (US) 2010-04-01 US disclosed
US-20090118236-A1 Novel Phosphorus-Containing Thyromimetics CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2009-05-07 US disclosed
US-7514419-B2 Phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. (US) 2009-04-07 US disclosed
EP-1689383-A4 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS INC (US) 2009-02-18 EP disclosed
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics METABASIS THERAPEUTICS, INC. 2009-01-29 US disclosed
EP-1689383-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2006-08-16 EP disclosed
US-20060046980-A1 Novel phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. 2006-03-02 US disclosed
WO-2005051298-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2005-06-09 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 (4 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 KCNH2 4674/4885PTPN1 70/4885NPSR1 592/4885
US-20060046980-A1 Novel phosphorus-containing thyromimetics PYGL, THRA, THOP1 KCNH2 4674/4885PTPN1 70/4885NPSR1 592/4885
US-20090118236-A1 Novel Phosphorus-Containing Thyromimetics THRA, PYGL, THRB KCNH2 4591/4885PTPN1 96/4885NPSR1 433/4885
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics PYGL, PHOSPHO1, LIPE KCNH2 4817/4885PTPN1 49/4885NPSR1 624/4885

“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.