SCHEMBL1824580

SCHEMBL1824580

COC(=O)CC(N)(C(=O)OC(C)(C)C)c1ccc(O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.38
BLM P54132 2/20 0.38
MPO P05164 1/20 0.38
KDM5A P29375 1/20 0.38
GFER P55789 1/20 0.38
PMP22 Q01453 1/20 0.38
HIF1A Q16665 1/20 0.38
MIF P14174 5/20 0.37
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CHRM2 P08172 1/20 0.35
DGAT1 O75907 1/20 0.35
ESRRG P62508 2/20 0.34
LMNA P02545 1/20 0.34
TYR P14679 1/20 0.34
AR P10275 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL27734342 0.86 MEN1 (0.49) ALDH1A1LMNAHSD17B10CA1CA2
SCHEMBL3525214 0.85 ESR1 (0.44) CYP3A4BLMMPOKDM5AGFER
SCHEMBL1823948 0.82 CA2 (0.35) ALDH1A1LMNAHSD17B10CA12CA1
SCHEMBL1827773 0.77 ALDH1A1 (0.41) ALDH1A1
SCHEMBL27734340 0.77 MEN1 (0.51) ALDH1A1TSHRCA1CA2
SCHEMBL27477488 0.77 EPHX2 (0.37) ALDH1A1DGAT1ESRRGHPGDMAPK1
SCHEMBL1820860 0.76 PPARG (0.43) ALDH1A1LMNA
SCHEMBL2582578 0.76 DGAT1 (0.43) CYP3A4BLMMPOKDM5AGFER
SCHEMBL1554119 0.76 DGAT1 (0.43) CYP3A4BLMMPOKDM5AGFER
SCHEMBL3622009 0.76 DGAT1 (0.43) CYP3A4BLMMPOKDM5AGFER

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 CYP3A4 45/4885BLM 679/4885MPO 1624/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CYP3A4 15/4885BLM 370/4885MPO 335/4885

“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.