SCHEMBL1823728

SCHEMBL1823728

Cc1ccc(S(=O)(=O)Oc2ccc(CC(CNCc3ccccc3)CC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.51
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
ATM Q13315 1/20 0.45
KDM4E B2RXH2 1/20 0.42
KDM4A O75164 1/20 0.42
ABCB1 P08183 1/20 0.42
ENPP1 P22413 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
SCHEMBL1822355 0.94 ATM (0.48) P2RX7CA2CA9ATMKDM4E
SCHEMBL1828894 0.91 P2RX7 (0.46) P2RX7ATMKDM4EKDM4AENPP1
SCHEMBL1825493 0.89 P2RX7 (0.46) P2RX7ATMKDM4EKDM4AENPP1
SCHEMBL1826808 0.88 P2RX7 (0.51) P2RX7
SCHEMBL1821753 0.88 P2RX7 (0.44) P2RX7KDM4EKDM4AENPP1
SCHEMBL1822326 0.87 ATM (0.50) P2RX7CA2CA9ATMABCB1
SCHEMBL1823133 0.86 P2RX7 (0.46) P2RX7CA2CA9ATMABCB1
SCHEMBL1824619 0.86 P2RX7 (0.60) P2RX7CA2CA9ABCB1
SCHEMBL1826819 0.85 P2RX7 (0.54) P2RX7CA2CA9ATMKDM4E
SCHEMBL1826648 0.85 P2RX7 (0.52) P2RX7CA2CA9ATMKDM4E

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 3606/4885CA2 730/4885CA9 776/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 P2RX7 2747/4885CA2 349/4885CA9 308/4885

“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.