SCHEMBL1823948

SCHEMBL1823948

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.35
CA1 P00915 7/20 0.35
CA9 Q16790 6/20 0.35
IDH1 O75874 2/20 0.35
ALDH1A1 P00352 4/20 0.35
CA12 O43570 6/20 0.34
STS P08842 1/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
RECQL P46063 2/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP7 P09237 1/20 0.33
MMP9 P14780 1/20 0.33
MMP14 P50281 1/20 0.33
PSEN1 P49768 1/20 0.32

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
SCHEMBL3568477 0.93 CA1 (0.37) CA2CA1CA9IDH1ALDH1A1
SCHEMBL1825334 0.88 STS (0.38) CA2CA1CA9IDH1ALDH1A1
SCHEMBL1827275 0.87 ALDH1A1 (0.35) CA2CA1CA9IDH1ALDH1A1
SCHEMBL1827773 0.85 ALDH1A1 (0.41) ALDH1A1ENPP3ENPP1RECQLMAPT
SCHEMBL1820860 0.84 PPARG (0.43) ALDH1A1ENPP3ENPP1RECQLMAPT
SCHEMBL1826015 0.83 CA12 (0.39) CA2CA1CA9ALDH1A1CA12
SCHEMBL1824580 0.82 CYP3A4 (0.38) CA2CA1CA9ALDH1A1CA12
SCHEMBL3571109 0.81 CA1 (0.43) CA2CA1CA9ALDH1A1CA12
SCHEMBL27734342 0.80 MEN1 (0.49) CA2CA1ALDH1A1RECQLMAPT
SCHEMBL1827566 0.79 CA12 (0.39) CA2CA1CA9CA12

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 CA2 730/4885CA1 1603/4885CA9 776/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CA2 349/4885CA1 1728/4885CA9 308/4885

“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.