SCHEMBL2060047

SCHEMBL2060047

OCc1ccc(Br)c(OC2CCCCO2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.38
SLC6A4 P31645 1/20 0.36
CA2 P00918 7/20 0.36
CA1 P00915 6/20 0.36
CA12 O43570 4/20 0.36
CA9 Q16790 4/20 0.36
DHFR P00374 1/20 0.35
PDE4B Q07343 1/20 0.34
HSD11B1 P28845 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KDM4C Q9H3R0 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
SCHEMBL2060182 0.88 DHFR (0.35) PTPN1SLC6A4CA2CA1CA12
SCHEMBL13140899 0.87 PDE4B (0.41) PTPN1DHFRPDE4BHSD11B1MEN1
SCHEMBL13311130 0.83 ACHE (0.49) PTPN1CA2CA1CA12CA9
SCHEMBL12831493 0.82 PTPN1 (0.39) PTPN1CA2CA1CA12CA9
SCHEMBL7802721 0.81 PTPN1 (0.37) PTPN1CA2CA1DHFRPDE4B
SCHEMBL1755976 0.80 HSD11B1 (0.41) PTPN1DHFRPDE4BHSD11B1MEN1
SCHEMBL2780758 0.79 L3MBTL1 (0.42) PTPN1
SCHEMBL5166212 0.79 PTPN1 (0.38) PTPN1DHFRPDE4BHSD11B1MEN1
SCHEMBL2497725 0.78 KMT2A (0.49) PTPN1CA2CA1CA12CA9
SCHEMBL12191799 0.78 KMT2A (0.49) PTPN1CA2CA1CA12CA9

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 PTPN1 2952/4885SLC6A4 682/4885CA2 1885/4885
US-20070213383-A1 Sulfamic acid ester compounds useful in the inhibition of steroid sulphatase activity and aromatase activity STS, SULT1E1, CYP19A1 PTPN1 2686/4885SLC6A4 1405/4885CA2 888/4885

“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.