SCHEMBL1827077

SCHEMBL1827077

CC(C)OC(=O)CC(c1ccc(OS(C)(=O)=O)cc1)C(N)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
PPARG P37231 6/20 0.38
MAPT P10636 1/20 0.38
LTA4H P09960 2/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
PPARA Q07869 7/20 0.37
STS P08842 1/20 0.37
LAP3 P28838 1/20 0.36
CNR2 P34972 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ACHE P22303 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
SCHEMBL1823785 0.91 TSHR (0.42) TSHRPPARGMAPTLTA4HPLA2G1B
SCHEMBL1827652 0.89 TSHR (0.40) TSHRMAPTLTA4HPLA2G1BATG4B
SCHEMBL1824709 0.89 LTA4H (0.43) PPARGLTA4HPLA2G1BATG4BPPARA
SCHEMBL1823346 0.89 BCHE (0.40) TSHRACHE
SCHEMBL1825925 0.87 SLC15A1 (0.48) PPARGLTA4HPPARASTSLAP3
SCHEMBL1826619 0.87 PPARG (0.44) PPARGLTA4HPPARASTSLAP3
SCHEMBL1823214 0.86 CA2 (0.43) PPARGLTA4HPPARASTSLAP3
SCHEMBL1823556 0.86 P2RX7 (0.44) PPARGMAPT
SCHEMBL1823165 0.85 TSHR (0.40) TSHRPPARGMAPTPLA2G1BATG4B
SCHEMBL1824705 0.84 CA1 (0.41) TSHRPPARGMAPTLTA4HPLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2161254-B1 Intermediate for preparing a biaryl compound SUMITOMO CHEMICAL CO (JP) 2014-08-13 EP disclosed
EP-1481967-B1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2011-05-04 EP disclosed
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
EP-2161254-A1 Intermediate for preparing a biaryl compound Sumitomo Chemical Company, Limited (JP) 2010-03-10 EP disclosed
US-20070270603-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2007-11-22 US disclosed
US-7271280-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-18 US disclosed
EP-1481967-A1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS Sumitomo Chemical Company, Limited (JP) 2004-12-01 EP disclosed
US-20040158093-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-12 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 (2 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-20040158093-A1 Process for preparing a biaryl compound CYP1B1, REL, CYP2F1 TSHR 1200/4885PPARG 3864/4885MAPT 4712/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 TSHR 2860/4885PPARG 2131/4885MAPT 2237/4885

“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.