SCHEMBL1823017

SCHEMBL1823017

COC(=O)CC(N)C(C(=O)OCc1ccccc1)c1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.45
CA2 P00918 6/20 0.45
ACHE P22303 3/20 0.45
LTA4H P09960 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LAP3 P28838 1/20 0.40
ABCB1 P08183 2/20 0.40
PPARG P37231 2/20 0.39
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
PPARA Q07869 1/20 0.39
KCNA5 P22460 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
MAOB P27338 1/20 0.38
ATM Q13315 1/20 0.37
SLC15A1 P46059 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
SCHEMBL1823131 0.94 SLC15A1 (0.43) CA1CA2ACHELTA4HALDH1A1
SCHEMBL1824732 0.91 PPARG (0.43) CA1CA2ACHELTA4HLAP3
SCHEMBL1826727 0.90 CA1 (0.41) CA1CA2ACHELTA4HALDH1A1
SCHEMBL1825876 0.90 CA1 (0.41) CA1CA2ACHELTA4HLAP3
SCHEMBL1824338 0.89 CA2 (0.39) CA1CA2ACHELTA4HLAP3
SCHEMBL1826455 0.88 CA1 (0.44) CA1CA2ACHEALDH1A1ABCB1
SCHEMBL1827047 0.87 LTA4H (0.51) CA1CA2ACHELTA4HALDH1A1
SCHEMBL1825766 0.86 P2RX7 (0.46) CA1CA2ACHEALDH1A1PPARG
SCHEMBL1824254 0.85 CA1 (0.45) CA1CA2ACHELTA4HALDH1A1
SCHEMBL1825243 0.85 LTA4H (0.41) CA1CA2ACHELTA4HLAP3

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 1603/4885CA2 730/4885ACHE 3905/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CA1 1728/4885CA2 349/4885ACHE 565/4885

“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.