SCHEMBL1826418

SCHEMBL1826418

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
PPARG P37231 3/20 0.38
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
CA12 O43570 3/20 0.38
CA9 Q16790 3/20 0.38
PPARA Q07869 3/20 0.38
ACHE P22303 2/20 0.37
PTPN1 P18031 2/20 0.37
SLC15A1 P46059 2/20 0.36
MAPT P10636 1/20 0.36
LTA4H P09960 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PTPRC P08575 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
SCHEMBL1826950 0.91 CA1 (0.41) PPARGCA1CA2CA12CA9
SCHEMBL1823540 0.90 P2RX7 (0.39) TSHRPTPN1
SCHEMBL3571109 0.89 CA1 (0.43) PPARGCA1CA2CA12CA9
SCHEMBL1826807 0.88 PPARG (0.41) PPARGCA1CA2CA12CA9
SCHEMBL1822068 0.87 P2RX7 (0.45) PPARGMAPTALDH1A1
SCHEMBL1827566 0.87 CA12 (0.39) PPARGCA1CA2CA12CA9
SCHEMBL1826015 0.82 CA12 (0.39) PPARGCA1CA2CA12CA9
SCHEMBL1827275 0.82 ALDH1A1 (0.35) TSHRCA1CA2CA12CA9
SCHEMBL3577977 0.82 CYP1A2 (0.37) TSHRCA1CA2CA12CA9
SCHEMBL1825871 0.81 TSHR (0.43) TSHRPPARGCA1CA2CA12

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 TSHR 1200/4885PPARG 3864/4885CA1 1603/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 TSHR 2860/4885PPARG 2131/4885CA1 1728/4885

“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.