SCHEMBL1825656

SCHEMBL1825656

CC(C)(C)OC(=O)C(CNCc1ccccc1)Cc1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
P2RX7 Q99572 9/20 0.47
KDM4E B2RXH2 1/20 0.44
KDM4A O75164 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ITGA4 P13612 2/20 0.40
ITGB7 P26010 2/20 0.40
ABCB1 P08183 1/20 0.40
BCL2 P10415 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADAMTS4 O75173 1/20 0.39
P4HB P07237 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
SCHEMBL1826819 0.94 P2RX7 (0.54) ATMP2RX7KDM4EKDM4ACA2
SCHEMBL1827743 0.90 ATM (0.52) ATMP2RX7CA2CA9CA12
SCHEMBL1826141 0.89 CA12 (0.43) ATMP2RX7KDM4EKDM4ACA2
SCHEMBL1825043 0.88 EPHX2 (0.50) P2RX7KDM4EKDM4AALDH1A1SMN1; SMN2
SCHEMBL1822865 0.87 P2RX7 (0.47) ATMP2RX7KDM4EKDM4ACA2
SCHEMBL1825672 0.87 P2RX7 (0.46) P2RX7KDM4EKDM4ACA2CA9
SCHEMBL1826600 0.87 ADAMTS4 (0.41) ATMP2RX7KDM4EKDM4AALDH1A1
SCHEMBL1824309 0.86 P2RX7 (0.45) P2RX7
SCHEMBL1827701 0.85 P2RX7 (0.55) P2RX7BCL2
SCHEMBL1824380 0.84 ATM (0.46) ATMP2RX7KDM4EKDM4ACA12

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 ATM 4601/4885P2RX7 3606/4885KDM4E 2554/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ATM 4386/4885P2RX7 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.