SCHEMBL1822756

SCHEMBL1822756

COC(=O)CC(CNC(=O)OC(C)(C)C)Cc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.47
KDM4E B2RXH2 1/20 0.42
KDM4A O75164 1/20 0.42
EGFR P00533 1/20 0.42
ENPP1 P22413 2/20 0.41
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
ABCB1 P08183 1/20 0.38
PPARG P37231 1/20 0.38
ENPP3 O14638 1/20 0.37
ENPP2 Q13822 1/20 0.37

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
SCHEMBL1828478 0.95 P2RX7 (0.47) P2RX7KDM4EKDM4AEGFRENPP1
SCHEMBL1824738 0.93 P2RX7 (0.47) P2RX7KDM4EKDM4AEGFRENPP1
SCHEMBL1827962 0.92 P2RX7 (0.45) P2RX7KDM4EKDM4AEGFRENPP1
SCHEMBL1826132 0.91 ABCB1 (0.47) P2RX7KDM4EKDM4AEGFRCA2
SCHEMBL1826576 0.89 P2RX7 (0.58) P2RX7ABCB1
SCHEMBL1824699 0.87 ENPP1 (0.44) P2RX7KDM4EKDM4AENPP1PPARG
SCHEMBL1823644 0.86 ABCB1 (0.52) P2RX7KDM4EKDM4AEGFRCA2
SCHEMBL1824720 0.86 ABCB1 (0.39) CA12CA1CA2CA9ABCB1
SCHEMBL1824646 0.85 P2RX7 (0.46) P2RX7KDM4EKDM4AEGFRABCB1
SCHEMBL1824619 0.85 P2RX7 (0.60) P2RX7CA2CA9ABCB1

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 3606/4885KDM4E 2554/4885KDM4A 1127/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 P2RX7 2747/4885KDM4E 2704/4885KDM4A 1554/4885

“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.