SCHEMBL1828756

SCHEMBL1828756

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.43
PPARA Q07869 7/20 0.39
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
CTSC P53634 1/20 0.38
PPARD Q03181 2/20 0.37
ACACB O00763 6/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1826300 0.89 PPARG (0.45) PPARGPPARAMTNR1AMTNR1BPPARD
SCHEMBL1826929 0.87 PPARG (0.48) PPARGPPARA
SCHEMBL1821158 0.85 ADAMTS4 (0.42) MTNR1AMTNR1BALDH1A1SMN1; SMN2
SCHEMBL1826525 0.85 SYK (0.40) PPARGPPARACTSC
SCHEMBL1826173 0.85 PPARG (0.42) PPARGPPARAMTNR1AMTNR1BPPARD
SCHEMBL1826541 0.84 PPARG (0.47) PPARGPPARA
SCHEMBL3575553 0.83 PPARG (0.50) PPARGPPARAMTNR1AMTNR1BALDH1A1
SCHEMBL3578129 0.82 PPARG (0.42) PPARGPPARASMN1; SMN2
SCHEMBL1823626 0.81 PPARG (0.39) PPARGPPARAMTNR1AMTNR1BCTSC
SCHEMBL1825715 0.81 ITGB3 (0.43) PPARGPPARACTSCPPARDACACB

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 PPARG 3864/4885PPARA 3865/4885MTNR1A 2715/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 PPARG 2131/4885PPARA 2339/4885MTNR1A 3986/4885

“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.