SCHEMBL1828166

SCHEMBL1828166

CCOC(=O)C(CNCc1ccccc1)Cc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.48
PPARG P37231 2/20 0.47
EPHX2 P34913 2/20 0.47
PPARA Q07869 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
ENPP1 P22413 1/20 0.45
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL1825043 0.95 EPHX2 (0.50) P2RX7PPARGEPHX2PPARASMN1; SMN2
SCHEMBL1825543 0.93 P2RX7 (0.53) P2RX7LMNA
SCHEMBL1826382 0.93 P2RX7 (0.49) P2RX7PPARGENPP1ALDH1A1LMNA
SCHEMBL1824214 0.90 P2RX7 (0.47) P2RX7PPARGENPP1ALDH1A1LMNA
SCHEMBL1826819 0.89 P2RX7 (0.54) P2RX7
SCHEMBL1826141 0.86 CA12 (0.43) P2RX7SMN1; SMN2ALDH1A1
SCHEMBL1823303 0.86 PPARG (0.52) PPARGEPHX2PPARASMN1; SMN2
SCHEMBL1824309 0.85 P2RX7 (0.45) P2RX7
SCHEMBL1827192 0.85 P2RX7 (0.56) P2RX7
SCHEMBL1825493 0.85 P2RX7 (0.46) P2RX7PPARGSMN1; SMN2ENPP1POLB

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 P2RX7 3606/4885PPARG 3864/4885EPHX2 793/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 P2RX7 2747/4885PPARG 2131/4885EPHX2 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.