SCHEMBL1826519

SCHEMBL1826519

CCOC(=O)C(c1ccc(OS(C)(=O)=O)cc1)C(N)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.35
FABP5 Q01469 3/20 0.34
FABP7 O15540 2/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
EPHX2 P34913 1/20 0.33
STS P08842 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL1826602 0.91 CASP3 (0.41) CASP3CA1CA2KMT2AFABP5
SCHEMBL1827109 0.90 CASP3 (0.38) CASP3CA1CA2KMT2AFABP5
SCHEMBL1825038 0.89 CASP3 (0.39) CASP3CA1CA2KMT2AFABP5
SCHEMBL1828565 0.89 CASP3 (0.38) CASP3CA1CA2KMT2AFABP5
SCHEMBL1826829 0.89 CASP3 (0.38) CASP3CA1CA2KMT2ACYP1A2
SCHEMBL1825603 0.88 KMT2A (0.38) CASP3CA1CA2KMT2ACYP1A2
SCHEMBL1826884 0.88 BACE1 (0.38) CASP3CA1CA2KMT2AFABP5
SCHEMBL1826387 0.88 ALDH1A1 (0.36) CASP3CA1CA2KMT2APPARG
SCHEMBL1825207 0.87 CASP3 (0.39) CASP3CA1CA2KMT2ACYP1A2
SCHEMBL1824488 0.85 CASP3 (0.39) CASP3CA1CA2KMT2ACYP1A2

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 CASP3 1512/4885CA1 1603/4885CA2 730/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CASP3 854/4885CA1 1728/4885CA2 349/4885

“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.