SCHEMBL1824263

SCHEMBL1824263

C[Si](C)(C)OC(C#N)c1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.36
CA2 P00918 5/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
CA12 O43570 2/20 0.35
GAA P10253 2/20 0.35
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
MMP2 P08253 2/20 0.33
MMP7 P09237 2/20 0.33
MMP9 P14780 2/20 0.33
MMP14 P50281 2/20 0.33
HPGD P15428 1/20 0.33
MMP1 P03956 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
CYP19A1 P11511 1/20 0.32
CA5A P35218 2/20 0.31
CTSC P53634 1/20 0.31
MMP3 P08254 1/20 0.31

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
SCHEMBL1829082 0.83 ALPL (0.36) ALPLCA2ALDH1A1KDM4EGAA
SCHEMBL1824824 0.83 ENPP3 (0.35) ALPLCA2ALDH1A1KDM4ECA12
SCHEMBL1821274 0.82 TDP1 (0.47) ALPLCA2ALDH1A1KDM4ECA12
SCHEMBL1826140 0.81 ALDH1A1 (0.47) CA2ALDH1A1CA12ENPP3ENPP1
SCHEMBL1789913 0.79 ALDH1A1 (0.47) CA2ALDH1A1KDM4ECA12GAA
SCHEMBL7932437 0.79 ALDH1A1 (0.33) ALDH1A1GAAHTT
SCHEMBL5317124 0.79 ALDH1A1 (0.47) CA2ALDH1A1KDM4ECA12GAA
SCHEMBL1826065 0.78 ENPP3 (0.38) ALPLCA2ALDH1A1CA12ENPP3
SCHEMBL1824388 0.78 HPGD (0.39) ALPLCA2ALDH1A1KDM4ECA12
SCHEMBL5525306 0.76 ALDH1A3 (0.37) ALDH1A1

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 ALPL 4209/4885CA2 730/4885ALDH1A1 1099/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ALPL 292/4885CA2 349/4885ALDH1A1 1440/4885

“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.