SCHEMBL1828076

SCHEMBL1828076

CCOC(=O)CC(CNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.40
BMP1 P13497 1/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
EPHX2 P34913 1/20 0.36
ENPP2 Q13822 2/20 0.35
ENPP1 P22413 2/20 0.35
ENPP3 O14638 1/20 0.35

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
SCHEMBL1823763 0.95 CASP3 (0.45) CASP3BMP1KMT2AALDH1A1EPHX2
SCHEMBL1827390 0.94 CASP3 (0.41) CASP3BMP1KMT2AEPHX2ENPP2
SCHEMBL1824681 0.92 P2RX7 (0.42) CASP3BMP1KMT2ALMNA
SCHEMBL3570979 0.92 CASP3 (0.39) CASP3BMP1KMT2AEPHX2ENPP2
SCHEMBL1824350 0.91 P2RX7 (0.40) CASP3BMP1KMT2AEPHX2ENPP2
SCHEMBL1825013 0.91 EPHX2 (0.38) CASP3BMP1KMT2AALDH1A1EPHX2
SCHEMBL1824487 0.89 CASP3 (0.44) CASP3BMP1KMT2AEPHX2
SCHEMBL1823349 0.88 CASP3 (0.47) CASP3BMP1KMT2AALDH1A1EPHX2
SCHEMBL1826386 0.87 BMP1 (0.40) CASP3BMP1KMT2AENPP2ENPP1
SCHEMBL1822981 0.87 BMP1 (0.40) CASP3BMP1ENPP1

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 1512/4885BMP1 911/4885KMT2A 1068/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CASP3 854/4885BMP1 300/4885KMT2A 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.