SCHEMBL3583108

SCHEMBL3583108

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.38
CDC25B P30305 1/20 0.36
SLC15A1 P46059 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
KMT2A Q03164 1/20 0.35
P2RX7 Q99572 5/20 0.35
PTPN1 P18031 2/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
FABP7 O15540 1/20 0.33
FABP5 Q01469 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
SCHEMBL1824683 0.94 P2RX7 (0.42) SLC15A1P2RX7PTPN1
SCHEMBL1826186 0.91 KMT2A (0.37) CASP3CDC25BSLC15A1HDAC1HDAC2
SCHEMBL1823766 0.90 CASP3 (0.39) CASP3KMT2ACA1CA2FABP7
SCHEMBL1821936 0.90 CASP3 (0.39) CASP3CDC25BSLC15A1HDAC1HDAC2
SCHEMBL1823351 0.89 CASP3 (0.41) CASP3KMT2AFABP5
SCHEMBL1825144 0.88 SLC15A1 (0.42) CDC25BSLC15A1P2RX7CA1CA2
SCHEMBL1823730 0.88 CASP3 (0.38) CASP3KMT2ACA1CA2FABP7
SCHEMBL1825694 0.88 CASP3 (0.38) CASP3CDC25BSLC15A1HDAC1HDAC2
SCHEMBL1822282 0.87 CASP3 (0.38) CASP3KMT2AP2RX7CA1CA2
SCHEMBL1823201 0.86 CASP3 (0.38) CASP3CDC25BHDAC1HDAC2KMT2A

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 1512/4885CDC25B 1230/4885SLC15A1 3789/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CASP3 854/4885CDC25B 1490/4885SLC15A1 4652/4885

“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.