SCHEMBL2060040

SCHEMBL2060040

CC(C)(C)[Si](C)(C)Oc1cccc(SCCl)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA9 Q16790 4/20 0.38
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
MTNR1A P48039 4/20 0.33
MTNR1B P49286 4/20 0.33
PREP P48147 2/20 0.33
DHFR P00374 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL7706827 0.78 CA1 (0.50) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL558917 0.76 CA12 (0.41) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL30556218 0.74 CA12 (0.44) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL8883542 0.74 CA12 (0.44) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL190164 0.73 CA12 (0.35) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL3182564 0.73 CA12 (0.46) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL5292779 0.72 ACHE (0.45) CA12CA1CA9MAOB
SCHEMBL4004898 0.72 CYP3A4 (0.47) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL2329760 0.72 ACHE (0.50) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL232409 0.72 CA12 (0.45) CA12CA1CA9HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148415-B2 Sulfamic acid ester compounds useful in the inhibition of steroid sulphatase activity and aromatase activity STERIX LIMITED (GB) 2012-04-03 US disclosed
US-8148415-B2 Sulfamic acid ester compounds useful in the inhibition of steroid sulphatase activity and aromatase activity STERIX LIMITED (GB) 2012-04-03 US disclosed
US-8148415-B2 Sulfamic acid ester compounds useful in the inhibition of steroid sulphatase activity and aromatase activity STERIX LIMITED (GB) 2012-04-03 US disclosed
US-20070213383-A1 Sulfamic acid ester compounds useful in the inhibition of steroid sulphatase activity and aromatase activity STERIX LIMITED (GB) 2007-09-13 US disclosed
US-20070213383-A1 Sulfamic acid ester compounds useful in the inhibition of steroid sulphatase activity and aromatase activity STERIX LIMITED (GB) 2007-09-13 US disclosed
US-20070213383-A1 Sulfamic acid ester compounds useful in the inhibition of steroid sulphatase activity and aromatase activity STERIX LIMITED (GB) 2007-09-13 US disclosed
EP-1765792-A1 SULFAMIC ACID ESTER COMPOUNDS USEFUL IN THE INHIBITION OF STEROID SULPHATASE ACTIVITY AND AROMATASE ACTIVITY Sterix Limited (GB) 2007-03-28 EP disclosed
US-20060241173-A1 A sulfamate compound, especially a sulfamylated flavone, isoflavone or flavanone, that is an inhibitor of both estrone sulfatase activity and aromatase activity for treating breast and endometrial cancers STERIX LTD. 2006-10-26 US disclosed
WO-2005115996-A1 SULFAMIC ACID ESTER COMPOUNDS USEFUL IN THE INHIBITION OF SEROID SULPHATASE ACTIVITY AND AROMATASE ACTIVITY STERIX LIMITED (GB) 2005-12-08 WO 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-20060241173-A1 A sulfamate compound, especially a sulfamylated flavone, isoflavone or flavanone, that is an inhibitor of both estrone sulfatase activity and aromatase activity for treating breast and endometrial cancers STS, SULT1E1, CYP19A1 CA12 1717/4885CA1 741/4885CA9 814/4885
US-20070213383-A1 Sulfamic acid ester compounds useful in the inhibition of steroid sulphatase activity and aromatase activity STS, SULT1E1, CYP19A1 CA12 930/4885CA1 472/4885CA9 378/4885

“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.