SCHEMBL1820862

SCHEMBL1820862

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
STS P08842 4/20 0.34
FAAH O00519 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
ATM Q13315 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
SLC7A5 Q01650 1/20 0.33
PTGS1 P23219 1/20 0.33
CYP19A1 P11511 1/20 0.32
ALOX5 P09917 1/20 0.32

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
SCHEMBL1825408 0.94 KMT2A (0.38) ALDH1A1STSFAAHL3MBTL1
SCHEMBL1823956 0.92 ALDH1A1 (0.34) ALDH1A1FAAHL3MBTL1CA1CA2
SCHEMBL1828397 0.92 ALDH1A1 (0.36) ALDH1A1STSFAAHL3MBTL1PTGS1
SCHEMBL1826405 0.88 KMT2A (0.42) FAAHCA1CA2CA9SLC7A5
SCHEMBL1824566 0.88 KMT2A (0.42) FAAHCA1CA2CA9SLC7A5
SCHEMBL1823708 0.86 SMN1; SMN2 (0.39) ALDH1A1FAAHL3MBTL1ATMPTGS1
SCHEMBL1825559 0.86 ALDH1A1 (0.38) ALDH1A1STSCA1CA2CA9
SCHEMBL1822249 0.84 L3MBTL1 (0.34) ALDH1A1FAAHL3MBTL1SLC7A5
SCHEMBL1826736 0.84 MAPT (0.42) ALDH1A1
SCHEMBL1824735 0.84 CASP3 (0.36) CA1CA2

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 1099/4885STS 625/4885FAAH 2017/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ALDH1A1 1440/4885STS 131/4885FAAH 1771/4885

“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.