SCHEMBL3583107

SCHEMBL3583107

O=C(CC(CNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(OS(=O)(=O)c2ccccc2)cc1)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.45
KMT2A Q03164 2/20 0.40
EPHX2 P34913 1/20 0.39
PTPN1 P18031 2/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
BMP1 P13497 1/20 0.36
CDC25B P30305 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
SCHEMBL1824681 0.94 P2RX7 (0.42) CASP3KMT2ABMP1
SCHEMBL1826185 0.91 CASP3 (0.41) CASP3KMT2AEPHX2PTPN1HDAC1
SCHEMBL1823763 0.91 CASP3 (0.45) CASP3KMT2AEPHX2BMP1
SCHEMBL1821935 0.91 CASP3 (0.44) CASP3KMT2AEPHX2PTPN1BMP1
SCHEMBL1823349 0.91 CASP3 (0.47) CASP3KMT2AEPHX2BMP1
SCHEMBL1825143 0.88 CA1 (0.42)
SCHEMBL1823727 0.88 CASP3 (0.45) CASP3KMT2AEPHX2BMP1
SCHEMBL1827182 0.87 CASP3 (0.42) CASP3KMT2APTPN1
SCHEMBL1822281 0.87 CASP3 (0.44) CASP3KMT2AEPHX2
SCHEMBL1823200 0.87 CASP3 (0.42) CASP3KMT2AEPHX2PTPN1HDAC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US 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 1512/4885KMT2A 1068/4885EPHX2 793/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CASP3 854/4885KMT2A 1084/4885EPHX2 671/4885

“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.