SCHEMBL1826413

SCHEMBL1826413

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.48
CTSS P25774 4/20 0.48
CTSB P07858 4/20 0.48
CTSK P43235 6/20 0.47
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
PLAU P00749 1/20 0.45
PLAT P00750 1/20 0.45
TACR1 P25103 2/20 0.45
ELANE P08246 1/20 0.44
MMP13 P45452 1/20 0.44
CASP1 P29466 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL1826360 0.91 ALDH1A1 (0.54) CTSLCTSSCTSBCTSKALDH1A1
SCHEMBL1826137 0.90 P2RX7 (0.50) CTSLCTSSCTSBCTSKPLAU
SCHEMBL1828087 0.90 CTSL (0.51) CTSLCTSSCTSBCTSKALDH1A1
SCHEMBL1828085 0.90 CTSL (0.51) CTSLCTSSCTSBCTSKALDH1A1
SCHEMBL1824920 0.89 CTSL (0.48) CTSLCTSSCTSBCTSKALDH1A1
SCHEMBL1825869 0.87 SYK (0.49) CTSLCTSSCTSBCTSKALDH1A1
SCHEMBL1821342 0.87 P2RX7 (0.57) PLAUPLAT
SCHEMBL1827586 0.86 PLAU (0.46) ALDH1A1PLAUPLATTACR1CA1
SCHEMBL3569956 0.86 CTSS (0.46) CTSLCTSSCTSBCTSKPLAU
SCHEMBL1827405 0.84 FAAH (0.43) PLAUPLAT

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 CTSL 4133/4885CTSS 3179/4885CTSB 2746/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CTSL 2260/4885CTSS 687/4885CTSB 496/4885

“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.