SCHEMBL1822808

SCHEMBL1822808

COC(=O)CC(CN)C(Cc1ccccc1)c1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
KCNA5 P22460 1/20 0.39
MAOB P27338 1/20 0.39
MMP1 P03956 3/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PPARG P37231 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
PPARA Q07869 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ACHE P22303 1/20 0.37
ALDH1A1 P00352 2/20 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
SCHEMBL1823680 0.89 ALDH1A1 (0.39) PLA2G1BATG4BKCNA5MAOBMMP1
SCHEMBL1823165 0.89 TSHR (0.40) PLA2G1BATG4BPPARGL3MBTL1PPARA
SCHEMBL1824990 0.89 PPARG (0.43) PPARGPPARASTS
SCHEMBL2835302 0.89 PPARG (0.45) PPARGL3MBTL1PPARACA1CA2
SCHEMBL1822328 0.89 ABCB1 (0.40) PPARGPPARACA1CA2STS
SCHEMBL1824288 0.87 PLA2G1B (0.43) PLA2G1BATG4BKCNA5MAOBMMP1
SCHEMBL1828896 0.86 P2RX7 (0.45) PPARGALDH1A1MEN1KMT2A
SCHEMBL1824709 0.84 LTA4H (0.43) PLA2G1BATG4BKCNA5MAOBMMP1
SCHEMBL1826349 0.82 MEN1 (0.48) PLA2G1BATG4BMMP1PPARGMMP9
SCHEMBL1826455 0.82 CA1 (0.44) KCNA5MAOBPDE4APDE4BPDE4C

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 PLA2G1B 4470/4885ATG4B 3296/4885KCNA5 1251/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 PLA2G1B 4673/4885ATG4B 734/4885KCNA5 1899/4885

“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.