SCHEMBL1822249

SCHEMBL1822249

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABCB1 P08183 1/20 0.32
SLC7A5 Q01650 1/20 0.32
OPRK1 P41145 1/20 0.32
FAAH O00519 1/20 0.31
PTPRC P08575 2/20 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
SCHEMBL1827072 0.94 KCNA5 (0.38) L3MBTL1
SCHEMBL1821110 0.93 F10 (0.34) L3MBTL1ALDH1A1
SCHEMBL1823820 0.92 ALDH1A1 (0.34) L3MBTL1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL1828934 0.89 KMT2A (0.41) KMT2ASMN1; SMN2ABCB1SLC7A5FAAH
SCHEMBL3572878 0.89 KMT2A (0.41) KMT2ASMN1; SMN2SLC7A5FAAH
SCHEMBL1824410 0.88 ABCB1 (0.37) ALDH1A1KMT2ASMN1; SMN2ABCB1FAAH
SCHEMBL1825141 0.86 ALDH1A1 (0.34) ALDH1A1KMT2AABCB1
SCHEMBL1824919 0.86 GPR17 (0.38) ALDH1A1KMT2A
SCHEMBL1823965 0.85 CASP3 (0.36) KMT2APTPRC
SCHEMBL1820862 0.84 ALDH1A1 (0.38) L3MBTL1ALDH1A1SLC7A5FAAH

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 L3MBTL1 2772/4885ALDH1A1 1099/4885KMT2A 1068/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 L3MBTL1 4827/4885ALDH1A1 1440/4885KMT2A 1084/4885

“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.