SCHEMBL1824545

SCHEMBL1824545

COC(=O)C(c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(N)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.41
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 3/20 0.38
ADAMTS4 O75173 1/20 0.37
FABP5 Q01469 1/20 0.37
ENPP3 O14638 3/20 0.36
ENPP1 P22413 3/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ENPP2 Q13822 2/20 0.36

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
SCHEMBL1821643 0.94 ENPP2 (0.38) CASP3ALDH1A1KMT2AENPP3ENPP1
SCHEMBL1828565 0.91 CASP3 (0.38) CASP3ALDH1A1SMN1; SMN2KMT2AADAMTS4
SCHEMBL1824834 0.91 CASP3 (0.38) CASP3ALDH1A1SMN1; SMN2KMT2AADAMTS4
SCHEMBL1825579 0.91 CASP3 (0.40) CASP3KMT2AFABP5CA1CA2
SCHEMBL1822320 0.90 BACE1 (0.38) CASP3ALDH1A1SMN1; SMN2KMT2AFABP5
SCHEMBL1826602 0.89 CASP3 (0.41) CASP3KMT2AFABP5CA1CA2
SCHEMBL1823201 0.89 CASP3 (0.38) CASP3SMN1; SMN2KMT2AFABP5CA1
SCHEMBL1826297 0.87 CASP3 (0.40) CASP3ALDH1A1SMN1; SMN2KMT2AADAMTS4
SCHEMBL1827380 0.86 CASP3 (0.41) CASP3ALDH1A1SMN1; SMN2KMT2AADAMTS4
SCHEMBL1823351 0.86 CASP3 (0.41) CASP3ALDH1A1SMN1; SMN2KMT2AADAMTS4

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 1512/4885ALDH1A1 1099/4885SMN1; SMN2 2274/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CASP3 854/4885ALDH1A1 1440/4885SMN1; SMN2 3216/4885

“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.