SCHEMBL1824925

SCHEMBL1824925

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
PPARG P37231 3/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PPARA Q07869 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
ALOX15 P16050 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD11B1 P28845 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
SCHEMBL1825420 0.92 ALDH1A1 (0.34) STSALDH1A1PPARGPPARACA12
SCHEMBL1823121 0.90 CXCR2 (0.33) STSALDH1A1PPARGCA12CA1
SCHEMBL1825633 0.88 ALDH1A1 (0.34) ALDH1A1PPARGCA12CA1CA2
SCHEMBL1824869 0.87 STS (0.35) STSALDH1A1KDM4EHTTPPARG
SCHEMBL1824661 0.86 KMT2A (0.39) ALDH1A1HTTPPARGGAANPSR1
SCHEMBL1825371 0.86 SMN1; SMN2 (0.40) ALDH1A1PPARGMAPTHSD11B1
SCHEMBL1825243 0.86 LTA4H (0.41) PPARGPPARACA12CA1CA2
SCHEMBL1826942 0.84 STS (0.39) STSALDH1A1KDM4EHTTPPARG
SCHEMBL1823824 0.83 STS (0.39) STSALDH1A1PPARGPPARACA12
SCHEMBL1824732 0.82 PPARG (0.43) PPARGPPARAF10CA12CA1

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 STS 625/4885ALDH1A1 1099/4885KDM4E 2554/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 STS 131/4885ALDH1A1 1440/4885KDM4E 2704/4885

“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.