SCHEMBL1824787

SCHEMBL1824787

CC(C)(C)OC(=O)NC(COCc1ccccc1)Cc1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.55
ATM Q13315 1/20 0.53
PPARG P37231 1/20 0.51
CTSS P25774 3/20 0.50
BCL2 P10415 1/20 0.48
SYK P43405 1/20 0.47
APP P05067 3/20 0.45
ABCB1 P08183 1/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
KLK7 P49862 2/20 0.43
KLK5 Q9Y337 2/20 0.43
PTPN1 P18031 1/20 0.43
P2RX7 Q99572 5/20 0.43

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
SCHEMBL1824788 0.91 ATM (0.52) PPARAATMPPARGCTSSBCL2
SCHEMBL1826283 0.90 PPARA (0.53) PPARAATMPPARGCTSSBCL2
SCHEMBL27538401 0.88 ATM (0.65) PPARAATMPPARGCTSSSYK
SCHEMBL903406 0.88 ATM (0.65) PPARAATMPPARGCTSSSYK
SCHEMBL1826530 0.87 P2RX7 (0.59) PPARAATMPPARGBCL2P2RX7
SCHEMBL1824073 0.87 PPARA (0.51) PPARAATMPPARGCTSSBCL2
SCHEMBL1825241 0.86 ATM (0.51) PPARAATMPPARGBCL2SYK
SCHEMBL1828722 0.85 ATM (0.47) PPARAATMPPARGCTSSBCL2
SCHEMBL14032533 0.84 BCL2 (0.57) PPARAATMBCL2SYKAPP
SCHEMBL5887852 0.84 BCL2 (0.57) PPARAATMBCL2SYKAPP

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 PPARA 3865/4885ATM 4601/4885PPARG 3864/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 PPARA 2339/4885ATM 4386/4885PPARG 2131/4885

“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.