SCHEMBL1823644

SCHEMBL1823644

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.52
P2RX7 Q99572 8/20 0.44
KDM4E B2RXH2 1/20 0.43
KDM4A O75164 1/20 0.43
CA2 P00918 2/20 0.43
BCL2 P10415 1/20 0.43
CA9 Q16790 1/20 0.43
EGFR P00533 1/20 0.41
SYK P43405 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
AGTR1 P30556 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL1826132 0.95 ABCB1 (0.47) ABCB1P2RX7KDM4EKDM4ACA2
SCHEMBL1824646 0.92 P2RX7 (0.46) ABCB1P2RX7KDM4EKDM4ABCL2
SCHEMBL3578775 0.92 ABCB1 (0.45) ABCB1P2RX7KDM4EKDM4ACA2
SCHEMBL1825966 0.92 ABCB1 (0.47) ABCB1P2RX7KDM4EKDM4ACA2
SCHEMBL1822700 0.92 P2RX7 (0.53) ABCB1P2RX7CA2BCL2CA9
SCHEMBL1826350 0.92 P2RX7 (0.51) ABCB1P2RX7KDM4EKDM4ABCL2
SCHEMBL1828478 0.91 P2RX7 (0.47) ABCB1P2RX7KDM4EKDM4ACA2
SCHEMBL1822355 0.87 ATM (0.48) ABCB1P2RX7KDM4EKDM4ACA2
SCHEMBL1826576 0.86 P2RX7 (0.58) ABCB1P2RX7SYKLMNA
SCHEMBL1824619 0.86 P2RX7 (0.60) ABCB1P2RX7CA2CA9SYK

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 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.