SCHEMBL1823656

SCHEMBL1823656

CCOC(=O)CC(NC(C)=O)c1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.44
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 1/20 0.41
RXFP1 Q9HBX9 2/20 0.39
ACACB O00763 3/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.38
ACACA Q13085 1/20 0.38

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
SCHEMBL1824576 0.88 KMT2A (0.46) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL3582246 0.85 KMT2A (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AACACB
SCHEMBL1825333 0.85 THRB (0.41) THRBALDH1A1SMN1; SMN2POLBNPC1
SCHEMBL1826008 0.85 ALDH1A1 (0.46) THRBALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL1825449 0.85 KMT2A (0.46) THRBALDH1A1POLBMAPTMEN1
SCHEMBL1824593 0.85 KMT2A (0.44) ALDH1A1MEN1KMT2AACACBACACA
SCHEMBL1823903 0.84 KMT2A (0.46) THRBALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL1827975 0.84 KMT2A (0.40) ALDH1A1MEN1KMT2AACACBHTT
SCHEMBL1826805 0.82 CA1 (0.47)
SCHEMBL15158927 0.81 KMT2A (0.47) THRBALDH1A1POLBNPC1MAPT

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 THRB 1656/4885ALDH1A1 1099/4885SMN1; SMN2 2274/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 THRB 3636/4885ALDH1A1 1440/4885SMN1; 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.