SCHEMBL1826522

SCHEMBL1826522

COC(=O)[C@H](Cc1cccc(OS(C)(=O)=O)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.53
CTSS P25774 6/20 0.48
CTSK P43235 5/20 0.48
CTSB P07858 4/20 0.48
CTSL P07711 2/20 0.48
ACE P12821 1/20 0.47
CACNA1B Q00975 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX2 P34913 1/20 0.43
MMP13 P45452 1/20 0.41
ABCB1 P08183 1/20 0.41
BCL2 P10415 1/20 0.41

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
SCHEMBL1825260 0.94 CTSS (0.49) KLK5CTSSCTSKCTSBCTSL
SCHEMBL1822092 0.92 SCN9A (0.47) KLK5CTSSCTSKCTSBCTSL
SCHEMBL3569956 0.91 CTSS (0.46) KLK5CTSSCTSKCTSBCTSL
SCHEMBL1826278 0.90 ACE (0.58) CTSSCTSKCTSBCTSLACE
SCHEMBL1824246 0.90 CTSS (0.50) KLK5CTSSCTSKCTSBCTSL
SCHEMBL1825738 0.88 KLK5 (0.55) KLK5CTSSCTSKCTSBCTSL
SCHEMBL30547272 0.88 KLK5 (0.58) KLK5CTSSCTSKCTSBCTSL
SCHEMBL4729306 0.88 KLK5 (0.58) KLK5CTSSCTSKCTSBCTSL
SCHEMBL31539528 0.88 KLK5 (0.58) KLK5CTSSCTSKCTSBCTSL
SCHEMBL14885696 0.86 KLK5 (0.52) KLK5CTSSCTSKCTSBCTSL

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 KLK5 4207/4885CTSS 3179/4885CTSK 4129/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 KLK5 1684/4885CTSS 687/4885CTSK 1578/4885

“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.