SCHEMBL1825013

SCHEMBL1825013

CCOC(=O)CC(CNC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(OS(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
CASP3 P42574 4/20 0.38
BMP1 P13497 1/20 0.37
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
G6PD P11413 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GPR17 Q13304 1/20 0.34
DHODH Q02127 1/20 0.34
MDM2 Q00987 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
SCHEMBL1824967 0.95 CASP3 (0.42) EPHX2CASP3BMP1KMT2A
SCHEMBL1822422 0.94 BMP1 (0.39) EPHX2CASP3BMP1KMT2AALDH1A1
SCHEMBL1824996 0.92 EPHX2 (0.38) EPHX2CASP3BMP1KMT2A
SCHEMBL1821705 0.92 EPHX2 (0.37) EPHX2CASP3BMP1KMT2AALDH1A1
SCHEMBL1823286 0.92 EPHX2 (0.37) EPHX2CASP3BMP1KMT2AALDH1A1
SCHEMBL1828076 0.91 CASP3 (0.40) EPHX2CASP3BMP1KMT2AALDH1A1
SCHEMBL1825075 0.89 CASP3 (0.42) EPHX2CASP3BMP1KMT2A
SCHEMBL1823322 0.89 CASP3 (0.43) EPHX2CASP3BMP1KMT2A
SCHEMBL1823490 0.88 BMP1 (0.38) EPHX2CASP3BMP1KMT2AGAA
SCHEMBL1826185 0.86 CASP3 (0.41) EPHX2CASP3BMP1KMT2A

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 EPHX2 793/4885CASP3 1512/4885BMP1 911/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 EPHX2 671/4885CASP3 854/4885BMP1 300/4885

“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.