SCHEMBL1826067

SCHEMBL1826067

CS(=O)(=O)Oc1ccc(COC(=O)CC#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.46
PPARA Q07869 9/20 0.44
TSHR P16473 1/20 0.36
CTSC P53634 1/20 0.36
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 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
SCHEMBL1824325 0.84 FAAH (0.41) PPARGPPARACTSCRAB9A
SCHEMBL11703006 0.82 ALDH1A1 (0.50) RAB9AALDH1A1GAAMAPK1L3MBTL1
SCHEMBL1822916 0.82 PPARG (0.52) PPARGPPARAALDH1A1GAAMAPK1
SCHEMBL1822255 0.82 ENPP1 (0.47) PPARGALDH1A1GAA
SCHEMBL1827283 0.81 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1CA2
SCHEMBL27808301 0.79 ALDH1A1 (0.55) PPARGPPARAALDH1A1CA2
SCHEMBL1828327 0.78 PPARG (0.46) PPARGPPARAALDH1A1
SCHEMBL1826049 0.78 PPARG (0.49) PPARGPPARAALDH1A1CA1CA2
SCHEMBL20523786 0.75 KMT2A (0.45) ALDH1A1MAPK1L3MBTL1
SCHEMBL11522867 0.75 MAPT (0.48) ALDH1A1GAAMAPK1L3MBTL1

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 3865/4885TSHR 1200/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 PPARG 2131/4885PPARA 2339/4885TSHR 2860/4885

“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.