SCHEMBL1824601

SCHEMBL1824601

CC(C)OC(=O)[C@H](Cc1ccc(OS(=O)(=O)c2ccccc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.54
ABCB1 P08183 1/20 0.54
BCL2 P10415 1/20 0.54
KDM4E B2RXH2 1/20 0.50
KDM4A O75164 1/20 0.50
CTSS P25774 3/20 0.48
CTSK P43235 2/20 0.48
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
ACE P12821 1/20 0.46
MMP13 P45452 1/20 0.46
KLK5 Q9Y337 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
SCHEMBL1824600 1.00 P2RX7 (0.54) P2RX7ABCB1BCL2KDM4EKDM4A
SCHEMBL1825287 0.92 P2RX7 (0.57) P2RX7ABCB1BCL2KDM4EKDM4A
SCHEMBL1825289 0.92 P2RX7 (0.57) P2RX7ABCB1BCL2KDM4EKDM4A
SCHEMBL1825550 0.91 P2RX7 (0.57) P2RX7ABCB1BCL2KDM4EKDM4A
SCHEMBL1825549 0.91 P2RX7 (0.57) P2RX7ABCB1BCL2KDM4EKDM4A
SCHEMBL1825723 0.91 P2RX7 (0.56) P2RX7ABCB1BCL2KDM4EKDM4A
SCHEMBL1825722 0.91 P2RX7 (0.56) P2RX7ABCB1BCL2KDM4EKDM4A
SCHEMBL1824556 0.89 CTSS (0.48) P2RX7ABCB1BCL2CTSSCTSK
SCHEMBL1825219 0.89 P2RX7 (0.57) P2RX7ABCB1BCL2KDM4EKDM4A
SCHEMBL1825218 0.89 P2RX7 (0.57) P2RX7ABCB1BCL2KDM4EKDM4A

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 1436/4885BCL2 1414/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 P2RX7 2747/4885ABCB1 209/4885BCL2 1908/4885

“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.