SCHEMBL1825852

SCHEMBL1825852

CC(C)(C)OC(=O)CC(CNC(=O)OCc1ccccc1)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.47
SYK P43405 1/20 0.46
ABCB1 P08183 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.41
MAPT P10636 1/20 0.40
MMP8 P22894 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL1821112 0.95 P2RX7 (0.54) P2RX7SYKMMP8
SCHEMBL1827410 0.93 SYK (0.48) P2RX7SYKABCB1CA1CA2
SCHEMBL1823006 0.91 SYK (0.50) P2RX7SYKABCB1CA1CA2
SCHEMBL1824863 0.91 CA1 (0.45) P2RX7CA1CA2ACHEMAPT
SCHEMBL1825617 0.90 ABCB1 (0.44) P2RX7SYKABCB1CA1CA2
SCHEMBL1825143 0.90 CA1 (0.42) P2RX7CA1CA2ACHEMAPT
SCHEMBL1825745 0.90 SYK (0.44) P2RX7SYKABCB1CA1MAPT
SCHEMBL1824695 0.89 P2RX7 (0.43) P2RX7CA1CA2ACHEMAPT
SCHEMBL3574284 0.88 CA1 (0.43) P2RX7CA1CA2ACHEMAPT
SCHEMBL1825197 0.88 P2RX7 (0.53) P2RX7SYK

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 3606/4885SYK 1520/4885ABCB1 1436/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 P2RX7 2747/4885SYK 1172/4885ABCB1 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.