SCHEMBL1827248

SCHEMBL1827248

CC(=O)OC(C)(CNC(=O)OC(C)(C)C)c1ccccc1OS(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.38
CA12 O43570 3/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA2 P00918 4/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 2/20 0.37
HSD11B1 P28845 1/20 0.37
HSD17B3 P37058 1/20 0.37
DHODH Q02127 1/20 0.36
EGFR P00533 1/20 0.36
CA9 Q16790 2/20 0.35
MALT1 Q9UDY8 1/20 0.35
IDO1 P14902 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL1821230 0.83 MAPT (0.42) ALDH1A1LMNAHTTMAPTHSD11B1
SCHEMBL3571453 0.83 EGFR (0.46) CA1CA12CA2ALDH1A1MAPT
SCHEMBL1827247 0.80 CA1 (0.40) CA1CA12CA7CA14CA2
SCHEMBL1825979 0.75 EGFR (0.46) CA1CA12CA2ALDH1A1MAPT
SCHEMBL3575086 0.74 SYK (0.39) CA1CA12CA7CA14CA2
SCHEMBL3575087 0.74 CA1 (0.40) CA1CA12CA7CA14CA2
SCHEMBL1823746 0.74 ALDH1A1 (0.49) CA1CA12CA7CA14CA2
SCHEMBL1823723 0.74 CA1 (0.41) CA1CA12CA7CA14CA2
SCHEMBL1827850 0.73 SYK (0.42) CA1CA12CA7CA14CA2
SCHEMBL1826927 0.73 EGFR (0.47) CA1CA12CA2ALDH1A1LMNA

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 CA1 1603/4885CA12 1498/4885CA7 370/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CA1 1728/4885CA12 670/4885CA7 78/4885

“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.