SCHEMBL1825249

SCHEMBL1825249

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

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.55
ATM Q13315 1/20 0.50
CTSL P07711 1/20 0.49
CTSS P25774 1/20 0.49
SYK P43405 1/20 0.47
BACE1 P56817 2/20 0.45

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
SCHEMBL1825290 0.94 P2RX7 (0.62) P2RX7ATMCTSLCTSSSYK
SCHEMBL1825585 0.92 P2RX7 (0.51) P2RX7ATMCTSLCTSSSYK
SCHEMBL1824416 0.90 ATM (0.52) P2RX7ATMCTSLCTSSSYK
SCHEMBL1828410 0.89 ATM (0.57) P2RX7ATMCTSLCTSS
SCHEMBL1821793 0.89 ATM (0.53) P2RX7ATMCTSLCTSS
SCHEMBL1826467 0.89 CTSS (0.50) P2RX7CTSS
SCHEMBL1823056 0.88 ATM (0.52) P2RX7ATMCTSLCTSS
SCHEMBL1824780 0.87 ATM (0.51) P2RX7ATMCTSLCTSS
SCHEMBL1826339 0.86 P2RX7 (0.58) P2RX7CTSS
SCHEMBL1823089 0.85 P2RX7 (0.54) 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 3606/4885ATM 4601/4885CTSL 4133/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 P2RX7 2747/4885ATM 4386/4885CTSL 2260/4885

“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.