SCHEMBL1827072

SCHEMBL1827072

COC(=O)CC(c1cccc(OS(C)(=O)=O)c1)C(N)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 13/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PRSS1 P07477 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
SCHEMBL1822249 0.94 L3MBTL1 (0.34) L3MBTL1
SCHEMBL1821110 0.91 F10 (0.34) L3MBTL1F2F10PRSS1
SCHEMBL1823820 0.90 ALDH1A1 (0.34) KCNA5L3MBTL1F2F10PRSS1
SCHEMBL1826411 0.88 KCNA5 (0.40) KCNA5CA12CA1CA2CA9
SCHEMBL3572878 0.87 KMT2A (0.41)
SCHEMBL1827289 0.87 KCNA5 (0.38) KCNA5CA12CA1CA2CA9
SCHEMBL1827214 0.86 GPR17 (0.38) KCNA5
SCHEMBL1825670 0.84 KMT2A (0.43) KCNA5CA12CA1CA2CA9
SCHEMBL1825408 0.84 KMT2A (0.38) L3MBTL1
SCHEMBL1828934 0.83 KMT2A (0.41) CA2CA9

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 KCNA5 1251/4885L3MBTL1 2772/4885CA12 1498/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 KCNA5 1899/4885L3MBTL1 4827/4885CA12 670/4885

“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.