SCHEMBL1825854

SCHEMBL1825854

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.43
ABCB1 P08183 1/20 0.40
LTA4H P09960 1/20 0.38
CA2 P00918 2/20 0.36
SLC15A1 P46059 1/20 0.36
CA9 Q16790 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KDM4A O75164 1/20 0.36
CA1 P00915 1/20 0.36
ACHE P22303 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL1821114 0.94 P2RX7 (0.50) P2RX7
SCHEMBL1827411 0.92 P2RX7 (0.43) P2RX7ABCB1LTA4HCA2SLC15A1
SCHEMBL1825619 0.91 ABCB1 (0.41) P2RX7ABCB1KDM4EKDM4ATDP1
SCHEMBL1823008 0.90 PPARG (0.40) P2RX7ABCB1LTA4HCA2SLC15A1
SCHEMBL1825144 0.90 SLC15A1 (0.42) P2RX7LTA4HCA2SLC15A1CA1
SCHEMBL1825747 0.90 KMT2A (0.40) P2RX7ABCB1LTA4HCA2SLC15A1
SCHEMBL1824865 0.89 KCNA5 (0.42) P2RX7ABCB1CA2SLC15A1CA1
SCHEMBL1824698 0.88 P2RX7 (0.42) P2RX7SLC15A1
SCHEMBL3574287 0.87 P2RX7 (0.40) P2RX7LTA4HCA2SLC15A1CA1
SCHEMBL1825199 0.87 P2RX7 (0.50) P2RX7

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 3606/4885ABCB1 1436/4885LTA4H 3852/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 P2RX7 2747/4885ABCB1 209/4885LTA4H 3332/4885

“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.