SCHEMBL1823219

SCHEMBL1823219

CC(=O)OC(C#N)c1cccc(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
ALPL P05186 1/20 0.39
GPR17 Q13304 2/20 0.39
P2RY2 P41231 1/20 0.39
ADAMTS4 O75173 1/20 0.38
ADRB3 P13945 1/20 0.37
MAPT P10636 2/20 0.37
PTGS1 P23219 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 1/20 0.36
FAAH O00519 1/20 0.36
MAOB P27338 1/20 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
SCHEMBL1825646 0.91 GPR17 (0.44) ALDH1A1TDP1GPR17P2RY2MAPT
SCHEMBL1827282 0.86 TDP1 (0.46) ALDH1A1TDP1SMN1; SMN2ALPLADAMTS4
SCHEMBL1824323 0.85 ALDH1A1 (0.42) ALDH1A1TDP1SMN1; SMN2ALPLPTGS1
SCHEMBL1828949 0.85 ALDH1A1 (0.44) ALDH1A1TDP1SMN1; SMN2ALPLGPR17
SCHEMBL1822796 0.83 ALDH1A1 (0.44) ALDH1A1TDP1SMN1; SMN2GPR17ADAMTS4
SCHEMBL10397026 0.82 ALDH1A1 (0.59) ALDH1A1TDP1PTGS1MEN1CYP2D6
SCHEMBL9863162 0.82 ALDH1A1 (0.59) ALDH1A1TDP1PTGS1MEN1CYP2D6
SCHEMBL9862906 0.82 ALDH1A1 (0.59) ALDH1A1TDP1PTGS1MEN1CYP2D6
SCHEMBL1825494 0.82 ALPL (0.42) ALDH1A1TDP1SMN1; SMN2ALPLGPR17
SCHEMBL1821432 0.81 ALDH1A1 (0.43) ALDH1A1TDP1SMN1; SMN2GPR17ADAMTS4

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 ALDH1A1 1099/4885TDP1 4543/4885SMN1; SMN2 2274/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ALDH1A1 1440/4885TDP1 4702/4885SMN1; 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.