SCHEMBL1822703

SCHEMBL1822703

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.42
ABCB1 P08183 1/20 0.37
CA2 P00918 2/20 0.35
CA9 Q16790 1/20 0.35
CA1 P00915 1/20 0.35
ACHE P22303 1/20 0.35
LTA4H P09960 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SYK P43405 1/20 0.34
ADAMTS4 O75173 1/20 0.34

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
SCHEMBL1824621 0.95 P2RX7 (0.49) P2RX7
SCHEMBL1826352 0.93 P2RX7 (0.42) P2RX7CA2CA1ACHELTA4H
SCHEMBL1823647 0.91 ABCB1 (0.38) P2RX7ABCB1CA2CA9TDP1
SCHEMBL1826058 0.91 CA2 (0.38) P2RX7ABCB1CA2CA9CA1
SCHEMBL1823638 0.90 TDP1 (0.38) P2RX7CA2CA1ACHELTA4H
SCHEMBL1824954 0.90 CA1 (0.40) P2RX7ABCB1CA2CA1ACHE
SCHEMBL1825905 0.89 P2RX7 (0.43) P2RX7ABCB1CA2CA9CA1
SCHEMBL1826251 0.89 SMN1; SMN2 (0.39) P2RX7CA2CA1ACHETDP1
SCHEMBL1823061 0.88 CA1 (0.37) P2RX7CA2CA1ACHETDP1
SCHEMBL1826577 0.88 P2RX7 (0.49) 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 1436/4885CA2 730/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 P2RX7 2747/4885ABCB1 209/4885CA2 349/4885

“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.