SCHEMBL1826076

SCHEMBL1826076

CC(C)(C)OC(=O)CC(N)(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
KMT2A Q03164 2/20 0.34
P2RX7 Q99572 7/20 0.33
FABP5 Q01469 2/20 0.33
ALDH1A1 P00352 2/20 0.33
FABP7 O15540 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
MDM4 O15151 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1827573 0.94 P2RX7 (0.38) CA1CA2KMT2AP2RX7ALDH1A1
SCHEMBL1827178 0.91 CASP3 (0.38) CASP3CA1CA2KMT2AFABP5
SCHEMBL1826915 0.90 HSD11B1 (0.38) CASP3CA1CA2KMT2AFABP5
SCHEMBL1824075 0.90 CA1 (0.36) CASP3CA1CA2KMT2AFABP5
SCHEMBL1826011 0.89 CASP3 (0.36) CASP3CA1CA2KMT2AFABP5
SCHEMBL1825771 0.88 KMT2A (0.36) CASP3CA1CA2KMT2AP2RX7
SCHEMBL1827497 0.85 ALDH1A1 (0.38) CA1CA2KMT2AP2RX7ALDH1A1
SCHEMBL1823035 0.85 ALDH1A1 (0.38) KMT2AP2RX7ALDH1A1MEN1MAPT
SCHEMBL1826492 0.85 TDP1 (0.41) KMT2AP2RX7ALDH1A1MEN1MAPT
SCHEMBL1824523 0.84 LMNA (0.41) P2RX7ALDH1A1MAPT

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 CASP3 1512/4885CA1 1603/4885CA2 730/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CASP3 854/4885CA1 1728/4885CA2 349/4885

“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.