SCHEMBL1828005

SCHEMBL1828005

CC(C)(C)OC(=O)C(CN)C(C(=O)OCc1ccccc1)c1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
ACHE P22303 1/20 0.39
LTA4H P09960 1/20 0.39
SYK P43405 1/20 0.39
PPARG P37231 3/20 0.38
ALOX5 P09917 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCD Q05655 1/20 0.36
P2RX7 Q99572 6/20 0.36
POLB P06746 1/20 0.36
PPARA Q07869 3/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
PSMB5 P28074 1/20 0.35

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
SCHEMBL1826120 0.96 CA1 (0.39) CA1CA2ACHELTA4HSYK
SCHEMBL1824917 0.92 CA1 (0.43) CA1CA2ACHELTA4HPPARG
SCHEMBL1827703 0.90 P2RX7 (0.44) CA1CA2ACHELTA4HSYK
SCHEMBL1827042 0.89 CA1 (0.46) CA1CA2ACHELTA4HPPARG
SCHEMBL1822745 0.88 ALDH1A1 (0.35) CA1CA2PPARGPPARACA12
SCHEMBL1826637 0.88 LTA4H (0.42) CA1CA2ACHELTA4HSYK
SCHEMBL1826716 0.88 PPARG (0.44) CA1CA2ACHELTA4HPPARG
SCHEMBL1827005 0.87 P2RX7 (0.51) P2RX7
SCHEMBL1826543 0.87 CA1 (0.42) CA1CA2ACHELTA4HPPARG
SCHEMBL1826890 0.86 P2RX7 (0.44) CA1CA2ACHELTA4HSYK

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.