SCHEMBL1826902

SCHEMBL1826902

CC(=O)NCC(CC(=O)OC(C)(C)C)Cc1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.40
PPARG P37231 6/20 0.39
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
PPARA Q07869 8/20 0.38
MMP1 P03956 2/20 0.36
ACACB O00763 1/20 0.35
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
PPARD Q03181 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KDM4A O75164 1/20 0.34

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
SCHEMBL1823853 0.91 ABCB1 (0.44) ABCB1PPARGCA2CA9PPARA
SCHEMBL1828106 0.89 PPARG (0.41) PPARGPPARAMMP1ACACBMTNR1A
SCHEMBL1825966 0.86 ABCB1 (0.47) ABCB1CA2CA9MTNR1AMTNR1B
SCHEMBL1824720 0.86 ABCB1 (0.39) ABCB1PPARGCA2CA9PPARA
SCHEMBL1823626 0.85 PPARG (0.39) PPARGPPARAACACBMTNR1AMTNR1B
SCHEMBL1825427 0.85 PPARG (0.46) PPARGCA2CA9PPARAACACB
SCHEMBL1826056 0.84 SYK (0.49) ABCB1PPARGCA2CA9PPARA
SCHEMBL1824868 0.83 PPARG (0.42) ABCB1PPARGCA2CA9PPARA
SCHEMBL1824192 0.83 ABCB1 (0.38) ABCB1PPARGCA2CA9PPARA
SCHEMBL1822326 0.83 ATM (0.50) ABCB1PPARGCA2CA9PPARA

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 ABCB1 1436/4885PPARG 3864/4885CA2 730/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ABCB1 209/4885PPARG 2131/4885CA2 349/4885

“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.