SCHEMBL1822248

SCHEMBL1822248

CC(C)(C)OC(=O)CC(CNC(=O)OC(C)(C)C)c1cccc(OS(C)(=O)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
SYK P43405 1/20 0.38
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
EPHX2 P34913 1/20 0.36
NQO2 P16083 1/20 0.35
GFER P55789 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ABCB1 P08183 1/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
PTPRC P08575 2/20 0.34
MALT1 Q9UDY8 1/20 0.34
ACACB O00763 1/20 0.34

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
SCHEMBL1827071 0.95 MTNR1A (0.40) MTNR1AMTNR1BSYKCA1CA2
SCHEMBL1821109 0.92 SYK (0.39) MTNR1AMTNR1BSYKCA1CA2
SCHEMBL1823819 0.92 F2 (0.37) MTNR1AMTNR1BSYKCA1CA2
SCHEMBL1827577 0.92 MTNR1A (0.47) MTNR1AMTNR1BPTPRC
SCHEMBL1828933 0.89 SYK (0.48) MTNR1AMTNR1BSYKCA1CA2
SCHEMBL3572876 0.89 SYK (0.50) MTNR1AMTNR1BSYKCA1CA2
SCHEMBL1824409 0.88 ABCB1 (0.41) MTNR1AMTNR1BSYKCA1CA2
SCHEMBL1825140 0.87 CA12 (0.40) SYKCA1CA2EPHX2ABCB1
SCHEMBL1824915 0.86 GPR17 (0.39) MTNR1AMTNR1BCA1CA2CA12
SCHEMBL1823962 0.85 CASP3 (0.41) EPHX2PTPRC

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 MTNR1A 2715/4885MTNR1B 1718/4885SYK 1520/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 MTNR1A 3986/4885MTNR1B 3105/4885SYK 1172/4885

“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.