SCHEMBL1824575

SCHEMBL1824575

CC(C)OC(=O)C(c1cccc(OS(=O)(=O)c2ccccc2)c1)C(N)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.37
ADRB3 P13945 1/20 0.34
EPHX2 P34913 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
KMT2A Q03164 1/20 0.34
FABP5 Q01469 2/20 0.33
FABP7 O15540 1/20 0.33
FAAH O00519 1/20 0.33
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33
FFAR1 O14842 1/20 0.33
F2 P00734 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
SCHEMBL1824563 0.94 GPR17 (0.36) CASP3EPHX2CA1CA2KMT2A
SCHEMBL1825579 0.91 CASP3 (0.40) CASP3ADRB3EPHX2CA1CA2
SCHEMBL1824834 0.91 CASP3 (0.38) CASP3CA1CA2KMT2AFABP5
SCHEMBL1824362 0.90 CASP3 (0.37) CASP3ADRB3EPHX2CA1CA2
SCHEMBL1829167 0.90 CASP3 (0.37) CASP3EPHX2CA1CA2KMT2A
SCHEMBL3565286 0.89 CASP3 (0.36) CASP3ADRB3EPHX2CA1CA2
SCHEMBL1826908 0.88 CASP3 (0.37) CASP3ADRB3EPHX2CA1CA2
SCHEMBL1826979 0.88 KMT2A (0.37) CASP3EPHX2CA1CA2KMT2A
SCHEMBL1825714 0.85 ENPP2 (0.37) CASP3CA1CA2KMT2A
SCHEMBL1823491 0.85 DHODH (0.37) CASP3EPHX2CA1CA2KMT2A

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 1512/4885ADRB3 1280/4885EPHX2 793/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CASP3 854/4885ADRB3 1134/4885EPHX2 671/4885

“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.