SCHEMBL1827307

SCHEMBL1827307

CC(C)(C)OC(=O)N[C@@H](Cc1cccc(OS(=O)(=O)c2ccccc2)c1)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.53
BCL2 P10415 1/20 0.50
CACNA1B Q00975 1/20 0.49
CTSS P25774 6/20 0.48
CTSK P43235 5/20 0.48
CTSB P07858 4/20 0.48
ACE P12821 1/20 0.47
KLK5 Q9Y337 1/20 0.46
CTSL P07711 1/20 0.46
ABCB1 P08183 1/20 0.46
TACR1 P25103 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
SCHEMBL1825346 0.94 P2RX7 (0.60) P2RX7CACNA1BCTSSCTSKCTSB
SCHEMBL1824950 0.93 CTSS (0.51) P2RX7BCL2CTSSCTSKCTSB
SCHEMBL1824760 0.92 P2RX7 (0.57) P2RX7BCL2CTSSCTSBCTSL
SCHEMBL1828120 0.92 P2RX7 (0.49) P2RX7BCL2CTSSCTSKCTSB
SCHEMBL1825738 0.92 KLK5 (0.55) P2RX7BCL2CTSSCTSKCTSB
SCHEMBL1824453 0.90 P2RX7 (0.63) P2RX7BCL2CTSSCTSKCTSB
SCHEMBL1824451 0.90 P2RX7 (0.63) P2RX7BCL2CTSSCTSKCTSB
SCHEMBL1824246 0.90 CTSS (0.50) BCL2CACNA1BCTSSCTSKCTSB
SCHEMBL1826266 0.90 P2RX7 (0.51) P2RX7CTSSCTSKCTSBCTSL
SCHEMBL1824556 0.90 CTSS (0.48) P2RX7BCL2CTSSCTSKCTSB

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 3606/4885BCL2 1414/4885CACNA1B 1557/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 P2RX7 2747/4885BCL2 1908/4885CACNA1B 1998/4885

“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.