SCHEMBL3565286

SCHEMBL3565286

CC(C)(C)OC(=O)C(c1cccc(OS(=O)(=O)c2ccccc2)c1)C(N)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.36
BACE1 P56817 1/20 0.36
EPHX2 P34913 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
KMT2A Q03164 1/20 0.33
FABP5 Q01469 2/20 0.33
FAAH O00519 1/20 0.33
FABP7 O15540 1/20 0.33
ADRB3 P13945 1/20 0.33
MDM4 O15151 1/20 0.33
TP53 P04637 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
SCHEMBL1826700 0.94 P2RX7 (0.36) CASP3BACE1EPHX2KMT2A
SCHEMBL1822320 0.91 BACE1 (0.38) CASP3BACE1CA1CA2KMT2A
SCHEMBL1824735 0.90 CASP3 (0.36) CASP3BACE1EPHX2CA1CA2
SCHEMBL1825579 0.90 CASP3 (0.40) CASP3EPHX2CA1CA2KMT2A
SCHEMBL1824362 0.89 CASP3 (0.37) CASP3EPHX2CA1CA2KMT2A
SCHEMBL1824575 0.89 CASP3 (0.37) CASP3EPHX2CA1CA2KMT2A
SCHEMBL1824795 0.88 CASP3 (0.36) CASP3BACE1EPHX2CA1CA2
SCHEMBL1826979 0.87 KMT2A (0.37) CASP3EPHX2CA1CA2KMT2A
SCHEMBL1823708 0.86 SMN1; SMN2 (0.39) FAAHADRB3
SCHEMBL1825401 0.85 P2RX7 (0.40) BACE1KMT2A

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 4 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
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 1512/4885BACE1 985/4885EPHX2 793/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CASP3 854/4885BACE1 200/4885EPHX2 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.