SCHEMBL1826435

SCHEMBL1826435

CC(C)OC(=O)[C@H](Cc1ccc(OS(=O)(=O)c2ccccc2)cc1)NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
KDM4A O75164 1/20 0.46
P2RX7 Q99572 14/20 0.45
ADAMTS4 O75173 1/20 0.43
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
PSMB5 P28074 1/20 0.41

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
SCHEMBL1826434 1.00 KDM4E (0.46) KDM4EKDM4AP2RX7ADAMTS4CA12
SCHEMBL1822316 0.94 P2RX7 (0.52) KDM4EKDM4AP2RX7
SCHEMBL1822315 0.94 P2RX7 (0.52) KDM4EKDM4AP2RX7
SCHEMBL1825841 0.90 CA12 (0.52) KDM4EKDM4AP2RX7CA12CA7
SCHEMBL1825842 0.90 CA12 (0.52) KDM4EKDM4AP2RX7CA12CA7
SCHEMBL1827689 0.89 PLAU (0.44) CA12CA9PSMB5
SCHEMBL1827972 0.89 CA12 (0.43) CA12CA7CA9CA14HDAC8
SCHEMBL1827970 0.89 CA12 (0.43) CA12CA7CA9CA14HDAC8
SCHEMBL2835487 0.88 P2RX7 (0.47) KDM4EKDM4AP2RX7CA12CA7
SCHEMBL2835488 0.88 P2RX7 (0.47) KDM4EKDM4AP2RX7CA12CA7

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 KDM4E 2554/4885KDM4A 1127/4885P2RX7 3606/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 KDM4E 2704/4885KDM4A 1554/4885P2RX7 2747/4885

“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.