SCHEMBL1822744

SCHEMBL1822744

CC(C)(C)OC(=O)NCC(Cc1ccc(OS(C)(=O)=O)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.42
PPARG P37231 4/20 0.42
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
PTPRB P23467 2/20 0.40
P4HB P07237 1/20 0.39
PPARA Q07869 4/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ATM Q13315 1/20 0.37
ABCB1 P08183 1/20 0.37
BCL2 P10415 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37

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
SCHEMBL1825517 0.94 SYK (0.42) SYKPPARGCA12CA1CA2
SCHEMBL1826658 0.92 PPARG (0.44) SYKPPARGCA12CA1CA2
SCHEMBL1826525 0.91 SYK (0.40) SYKPPARGCA12CA1CA2
SCHEMBL1826173 0.91 PPARG (0.42) PPARGCA2CA9P4HBPPARA
SCHEMBL1828002 0.88 SYK (0.52) SYKPPARGPPARAITGB3ITGA2B
SCHEMBL1826119 0.88 SYK (0.54) SYKPPARGPTPRBP4HBPPARA
SCHEMBL1822865 0.86 P2RX7 (0.47) SYKCA2CA9PTPRBP4HB
SCHEMBL1825587 0.85 P2RX7 (0.51) PPARGCA12CA1CA2CA9
SCHEMBL1821557 0.84 CASP3 (0.41)
SCHEMBL1827743 0.82 ATM (0.52) PPARGCA12CA1CA2CA9

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 SYK 1520/4885PPARG 3864/4885CA12 1498/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 SYK 1172/4885PPARG 2131/4885CA12 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.