SCHEMBL1827288

SCHEMBL1827288

COC(=O)CC(CNC(=O)OC(C)(C)C)c1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.39
CA2 P00918 6/20 0.39
CA1 P00915 5/20 0.39
CA9 Q16790 5/20 0.39
SYK P43405 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HIF1A Q16665 1/20 0.35
CA14 Q9ULX7 1/20 0.35
EGFR P00533 1/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
ATM Q13315 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
IDH1 O75874 1/20 0.33
CXCR2 P25025 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
SCHEMBL1825140 0.94 CA12 (0.40) CA12CA2CA1CA9SYK
SCHEMBL1824723 0.90 CA12 (0.37) CA12CA2CA1CA9SYK
SCHEMBL1826940 0.90 SYK (0.40) CA12CA2CA1CA9SYK
SCHEMBL1827071 0.87 MTNR1A (0.40) CA12CA2CA1CA9SYK
SCHEMBL1825302 0.86 EGFR (0.42) CA12CA2CA1CA9SYK
SCHEMBL1827377 0.86 SYK (0.53) CA12CA2CA1SYKMAPT
SCHEMBL1826054 0.85 EGFR (0.43) CA12CA2CA1CA9ALDH1A1
SCHEMBL1824474 0.85 MTNR1A (0.38) CA12CA2CA1CA9ALDH1A1
SCHEMBL1824407 0.84 MTNR1A (0.41) CA2CA1CA9ALDH1A1
SCHEMBL20805970 0.83 SYK (0.41) CA12CA2CA1CA9SYK

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 CA12 1498/4885CA2 730/4885CA1 1603/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CA12 670/4885CA2 349/4885CA1 1728/4885

“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.