SCHEMBL1826437

SCHEMBL1826437

CCOC(=O)C(CNC(C)=O)Cc1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.47
PPARA Q07869 2/20 0.47
EPHX2 P34913 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.41
KDM4A O75164 1/20 0.41
P2RX7 Q99572 3/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
ADAMTS4 O75173 1/20 0.40
MMP8 P22894 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL1821749 0.91 ENPP1 (0.47) PPARGPPARAEPHX2SMN1; SMN2ALDH1A1
SCHEMBL1828061 0.91 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1KDM4EKDM4AP2RX7
SCHEMBL1828368 0.90 P2RX7 (0.46) P2RX7MTNR1AMTNR1B
SCHEMBL1821158 0.88 ADAMTS4 (0.42) SMN1; SMN2ALDH1A1KDM4EKDM4AP2RX7
SCHEMBL1823798 0.88 P2RX7 (0.50) PPARGPPARAEPHX2P2RX7
SCHEMBL1825672 0.87 P2RX7 (0.46) SMN1; SMN2ALDH1A1KDM4EKDM4AP2RX7
SCHEMBL1828731 0.87 P2RX7 (0.53) P2RX7LMNA
SCHEMBL3574216 0.87 P2RX7 (0.47) PPARGPPARAEPHX2KDM4EKDM4A
SCHEMBL1825043 0.86 EPHX2 (0.50) PPARGPPARAEPHX2SMN1; SMN2ALDH1A1
SCHEMBL1826929 0.85 PPARG (0.48) PPARGPPARAEPHX2

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 3865/4885EPHX2 793/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 PPARG 2131/4885PPARA 2339/4885EPHX2 671/4885

“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.