SCHEMBL1823819

SCHEMBL1823819

CC(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 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
PRSS1 P07477 1/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
SYK P43405 1/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NQO2 P16083 1/20 0.33
GFER P55789 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SERPINE1 P05121 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
CTSS P25774 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
SCHEMBL1822248 0.92 MTNR1A (0.38) MTNR1AMTNR1BSYKCA1CA2
SCHEMBL1827071 0.91 MTNR1A (0.40) F2F10PRSS1MTNR1AMTNR1B
SCHEMBL1822884 0.89 ADRB3 (0.38) F2F10PRSS1MTNR1AMTNR1B
SCHEMBL1821109 0.88 SYK (0.39) F2F10PRSS1MTNR1AMTNR1B
SCHEMBL1824723 0.88 CA12 (0.37) SYKCA1CA2ALDH1A1SMN1; SMN2
SCHEMBL1824904 0.87 GPR17 (0.39) F2F10PRSS1CA1CA2
SCHEMBL1826113 0.87 MTNR1A (0.48) F2F10PRSS1MTNR1AMTNR1B
SCHEMBL3572876 0.85 SYK (0.50) MTNR1AMTNR1BSYKCA1CA2
SCHEMBL1828395 0.84 SYK (0.39) SYKCA1CA2ALDH1A1SMN1; SMN2
SCHEMBL1826720 0.84 MTNR1A (0.42) F2F10PRSS1MTNR1AMTNR1B

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 F2 701/4885F10 1460/4885PRSS1 4551/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 F2 805/4885F10 1977/4885PRSS1 3684/4885

“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.