SCHEMBL1828009

SCHEMBL1828009

CC(C)OC(=O)C(CNC(=O)OC(C)(C)C)Cc1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.45
KDM4E B2RXH2 1/20 0.42
KDM4A O75164 1/20 0.42
ABCB1 P08183 1/20 0.42
BCL2 P10415 1/20 0.42
SYK P43405 1/20 0.41
PTPRB P23467 2/20 0.41
P4HB P07237 1/20 0.40
EGFR P00533 1/20 0.40
CA2 P00918 2/20 0.40
ADAMTS4 O75173 1/20 0.39
ATM Q13315 1/20 0.39
CA9 Q16790 1/20 0.38

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
SCHEMBL1822865 0.92 P2RX7 (0.47) P2RX7KDM4EKDM4AABCB1BCL2
SCHEMBL1828032 0.91 P2RX7 (0.48) P2RX7KDM4EKDM4AEGFRCA2
SCHEMBL1824961 0.91 P2RX7 (0.47) P2RX7KDM4EKDM4AABCB1BCL2
SCHEMBL3574216 0.89 P2RX7 (0.47) P2RX7KDM4EKDM4AABCB1BCL2
SCHEMBL1826889 0.89 P2RX7 (0.53) P2RX7KDM4EKDM4AABCB1BCL2
SCHEMBL1824540 0.87 P2RX7 (0.47) P2RX7
SCHEMBL1821158 0.87 ADAMTS4 (0.42) P2RX7KDM4EKDM4ACA2ADAMTS4
SCHEMBL1826525 0.87 SYK (0.40) ABCB1BCL2SYKPTPRBP4HB
SCHEMBL3578775 0.85 ABCB1 (0.45) P2RX7KDM4EKDM4AABCB1BCL2
SCHEMBL1827701 0.85 P2RX7 (0.55) P2RX7BCL2SYK

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.