SCHEMBL3577976

SCHEMBL3577976

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

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.48
KMT2A Q03164 2/20 0.39
EPHX2 P34913 1/20 0.37
MDM2 Q00987 1/20 0.37
MDM4 O15151 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL1824602 0.92 CASP3 (0.51) CASP3KMT2AEPHX2MDM2MDM4
SCHEMBL1826010 0.90 CASP3 (0.48) CASP3KMT2AMDM2MDM4TP53
SCHEMBL1823607 0.90 CASP3 (0.49) CASP3KMT2AEPHX2
SCHEMBL1824072 0.88 CASP3 (0.48) CASP3KMT2AMDM2MDM4TP53
SCHEMBL1822335 0.88 CASP3 (0.43) CASP3KMT2AMDM2
SCHEMBL1822098 0.87 CASP3 (0.49) CASP3KMT2A
SCHEMBL1824197 0.86 CASP3 (0.48) CASP3KMT2AEPHX2MDM2MDM4
SCHEMBL1826987 0.85 CASP3 (0.43) CASP3KMT2AEPHX2
SCHEMBL1828573 0.85 CASP3 (0.47) CASP3KMT2AEPHX2MDM2MDM4
SCHEMBL1826417 0.82 CA1 (0.48) CASP3KMT2A

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.