SCHEMBL2060182

SCHEMBL2060182

BrCc1ccc(Br)c(OC2CCCCO2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.35
PTPN1 P18031 4/20 0.35
CA2 P00918 6/20 0.34
CA1 P00915 5/20 0.34
CA12 O43570 4/20 0.34
CA9 Q16790 4/20 0.34
KDM4C Q9H3R0 1/20 0.33
HSD11B1 P28845 1/20 0.33
PDE4B Q07343 1/20 0.33
SLC6A4 P31645 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2060047 0.88 PTPN1 (0.38) DHFRPTPN1CA2CA1CA12
SCHEMBL28537543 0.85 PDE4B (0.36) DHFRPTPN1KDM4CHSD11B1PDE4B
SCHEMBL7802721 0.82 PTPN1 (0.37) DHFRPTPN1CA2CA1KDM4C
SCHEMBL1755976 0.81 HSD11B1 (0.41) DHFRPTPN1KDM4CHSD11B1PDE4B
SCHEMBL12831493 0.80 PTPN1 (0.39) DHFRPTPN1CA2CA1CA12
SCHEMBL2780758 0.80 L3MBTL1 (0.42) PTPN1
SCHEMBL5166212 0.80 PTPN1 (0.38) DHFRPTPN1KDM4CHSD11B1PDE4B
SCHEMBL883393 0.78 DHFR (0.41) DHFRKDM4CHSD11B1MEN1KMT2A
SCHEMBL31533080 0.77 MAOB (0.42) SLC6A4
SCHEMBL10080332 0.77 PDE4B (0.42) PTPN1PDE4BMEN1KMT2A

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 DHFR 459/4885PTPN1 2952/4885CA2 1885/4885
US-20070213383-A1 Sulfamic acid ester compounds useful in the inhibition of steroid sulphatase activity and aromatase activity STS, SULT1E1, CYP19A1 DHFR 222/4885PTPN1 2686/4885CA2 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.