SCHEMBL1824451

SCHEMBL1824451

CC(C)(C)OC(=O)NC(Cc1ccc(OS(=O)(=O)c2ccccc2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.63
BCL2 P10415 1/20 0.58
ABCB1 P08183 1/20 0.54
CTSS P25774 2/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSK P43235 1/20 0.50
KDM4E B2RXH2 1/20 0.50
KDM4A O75164 1/20 0.50

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
SCHEMBL1824453 1.00 P2RX7 (0.63) P2RX7BCL2ABCB1CTSSCTSL
SCHEMBL1827256 0.94 P2RX7 (0.71) P2RX7BCL2KDM4EKDM4A
SCHEMBL1827254 0.94 P2RX7 (0.71) P2RX7BCL2KDM4EKDM4A
SCHEMBL1824913 0.92 P2RX7 (0.68) P2RX7BCL2
SCHEMBL1824914 0.92 P2RX7 (0.68) P2RX7BCL2
SCHEMBL1825287 0.92 P2RX7 (0.57) P2RX7BCL2ABCB1CTSSCTSL
SCHEMBL1825289 0.92 P2RX7 (0.57) P2RX7BCL2ABCB1CTSSCTSL
SCHEMBL1825218 0.91 P2RX7 (0.57) P2RX7BCL2ABCB1CTSSCTSL
SCHEMBL1825219 0.91 P2RX7 (0.57) P2RX7BCL2ABCB1CTSSCTSL
SCHEMBL1825722 0.91 P2RX7 (0.56) P2RX7BCL2ABCB1CTSSCTSL

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 3606/4885BCL2 1414/4885ABCB1 1436/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 P2RX7 2747/4885BCL2 1908/4885ABCB1 209/4885

“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.