SCHEMBL3578775

SCHEMBL3578775

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.45
P2RX7 Q99572 8/20 0.42
KDM4E B2RXH2 1/20 0.41
KDM4A O75164 1/20 0.41
BCL2 P10415 1/20 0.41
EGFR P00533 1/20 0.39
SYK P43405 1/20 0.38
ADAMTS4 O75173 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
AGTR1 P30556 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL1823644 0.92 ABCB1 (0.52) ABCB1P2RX7KDM4EKDM4ABCL2
SCHEMBL1827962 0.92 P2RX7 (0.45) ABCB1P2RX7KDM4EKDM4AEGFR
SCHEMBL1826132 0.92 ABCB1 (0.47) ABCB1P2RX7KDM4EKDM4ABCL2
SCHEMBL1824646 0.89 P2RX7 (0.46) ABCB1P2RX7KDM4EKDM4ABCL2
SCHEMBL1826350 0.88 P2RX7 (0.51) ABCB1P2RX7KDM4EKDM4ABCL2
SCHEMBL1825752 0.88 ADAMTS4 (0.41) P2RX7KDM4EKDM4AADAMTS4ALDH1A1
SCHEMBL1824192 0.88 ABCB1 (0.38) ABCB1BCL2SYKATMCA2
SCHEMBL1823060 0.87 P2RX7 (0.46) P2RX7MAPT
SCHEMBL1828009 0.85 P2RX7 (0.45) ABCB1P2RX7KDM4EKDM4ABCL2
SCHEMBL1825581 0.85 EGFR (0.40) ABCB1P2RX7EGFRSYKADAMTS4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US 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 ABCB1 1436/4885P2RX7 3606/4885KDM4E 2554/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ABCB1 209/4885P2RX7 2747/4885KDM4E 2704/4885

“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.