SCHEMBL1820933

SCHEMBL1820933

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.50
KDM4E B2RXH2 1/20 0.46
KDM4A O75164 1/20 0.46
ABCB1 P08183 1/20 0.43
ENPP1 P22413 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
AGTR1 P30556 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BCL2 P10415 2/20 0.41
EGFR P00533 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
SCHEMBL1825448 0.95 P2RX7 (0.51) P2RX7KDM4EKDM4AABCB1ENPP1
SCHEMBL1824660 0.92 P2RX7 (0.51) P2RX7KDM4EKDM4AABCB1ENPP1
SCHEMBL1825580 0.91 P2RX7 (0.48) P2RX7KDM4EKDM4AABCB1ENPP1
SCHEMBL1828399 0.91 ABCB1 (0.52) P2RX7KDM4EKDM4AABCB1ATM
SCHEMBL1825795 0.89 P2RX7 (0.51) P2RX7KDM4EKDM4AABCB1ENPP1
Methoxymethane SCHEMBL1825798 0.89 P2RX7 (0.51) P2RX7KDM4EKDM4AABCB1ENPP1
SCHEMBL1822286 0.89 P2RX7 (0.52) P2RX7KDM4EKDM4AABCB1ENPP1
SCHEMBL1823742 0.89 P2RX7 (0.52) P2RX7KDM4EKDM4AABCB1ENPP1
SCHEMBL3569856 0.88 P2RX7 (0.61) P2RX7ABCB1ATMBCL2
SCHEMBL1823320 0.86 ENPP1 (0.46) P2RX7KDM4EKDM4AENPP1ALDH1A1

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.