SCHEMBL1826367

SCHEMBL1826367

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.38
PTGS1 P23219 1/20 0.37
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
STS P08842 1/20 0.36
FAAH O00519 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
LMNA P02545 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
SCHEMBL1825862 0.87 ALDH1A1 (0.39) ALDH1A1CYP3A4L3MBTL1PTGS1FAAH
SCHEMBL1822898 0.87 L3MBTL1 (0.41) ALDH1A1L3MBTL1PTGS1STSFAAH
SCHEMBL1826835 0.85 ACHE (0.40) ALDH1A1CYP3A4PTGS1SMN1; SMN2STS
SCHEMBL1821432 0.85 ALDH1A1 (0.43) ALDH1A1CYP3A4L3MBTL1PTGS1HSD17B10
SCHEMBL1827639 0.83 GPR17 (0.44) ALDH1A1L3MBTL1LMNA
SCHEMBL1828810 0.83 L3MBTL1 (0.39) ALDH1A1L3MBTL1PTGS1SMN1; SMN2STS
SCHEMBL1826859 0.82 L3MBTL1 (0.39) ALDH1A1L3MBTL1PTGS1SMN1; SMN2STS
SCHEMBL1825924 0.82 PTGS1 (0.53) ALDH1A1CYP3A4PTGS1HSD17B10SMN1; SMN2
SCHEMBL1824696 0.81 ALDH1A1 (0.42) ALDH1A1CYP3A4SMN1; SMN2STSCA1
SCHEMBL1824323 0.81 ALDH1A1 (0.42) ALDH1A1CYP3A4PTGS1SMN1; SMN2STS

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 ALDH1A1 1099/4885CYP3A4 45/4885L3MBTL1 2772/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ALDH1A1 1440/4885CYP3A4 15/4885L3MBTL1 4827/4885

“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.