SCHEMBL1825904

SCHEMBL1825904

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

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 15/20 0.58
ABCB1 P08183 1/20 0.49
SYK P43405 1/20 0.49
CTRB1 P17538 2/20 0.48
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46

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
SCHEMBL1827055 0.95 P2RX7 (0.66) P2RX7SYKCTRB1
SCHEMBL1827134 0.93 P2RX7 (0.54) P2RX7ABCB1SYKCTRB1
SCHEMBL1824022 0.91 ABCB1 (0.58) P2RX7ABCB1
SCHEMBL1824337 0.90 SYK (0.53) P2RX7ABCB1SYKCTRB1ITGB3
SCHEMBL1826726 0.90 P2RX7 (0.53) P2RX7CTRB1ITGB3ITGA2B
SCHEMBL3577444 0.90 CTRB1 (0.54) P2RX7CTRB1ITGB3ITGA2B
SCHEMBL1825988 0.89 P2RX7 (0.53) P2RX7CTRB1
SCHEMBL1823002 0.88 P2RX7 (0.51) P2RX7CTRB1ITGB3ITGA2B
SCHEMBL3569856 0.87 P2RX7 (0.61) P2RX7ABCB1
SCHEMBL1828885 0.87 ABCB1 (0.51) P2RX7ABCB1

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 1436/4885SYK 1520/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 P2RX7 2747/4885ABCB1 209/4885SYK 1172/4885

“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.