SCHEMBL1828397

SCHEMBL1828397

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33
PTGS1 P23219 1/20 0.32
FAAH O00519 1/20 0.31
ALOX5 P09917 1/20 0.31
STS P08842 2/20 0.31
NOS1 P29475 2/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
ACHE P22303 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL1820862 0.92 ALDH1A1 (0.38) ALDH1A1PTGS1FAAHALOX5STS
SCHEMBL1825408 0.89 KMT2A (0.38) ALDH1A1FAAHSTSL3MBTL1
SCHEMBL1824428 0.87 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2NOS1NOS3NOS2
SCHEMBL1825443 0.87 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2PLAUPLATPTGS1
SCHEMBL1823956 0.87 ALDH1A1 (0.34) ALDH1A1FAAHL3MBTL1TDP1
SCHEMBL1827492 0.86 GPR17 (0.40) ALDH1A1PLAUPLAT
SCHEMBL1823820 0.84 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2PLAUPLATL3MBTL1
SCHEMBL1826405 0.83 KMT2A (0.42) SMN1; SMN2FAAHALOX5ACHE
SCHEMBL3578147 0.82 KMT2A (0.42) SMN1; SMN2PLAUPLATFAAHALOX5
SCHEMBL1824566 0.81 KMT2A (0.42) SMN1; SMN2FAAHALOX5ACHE

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 1099/4885SMN1; SMN2 2274/4885PLAU 4857/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ALDH1A1 1440/4885SMN1; SMN2 3216/4885PLAU 4788/4885

“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.