SCHEMBL2060109

SCHEMBL2060109

Oc1cccc(C(O)c2cccc(O)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.57
ADRA1A P35348 2/20 0.57
MIF P14174 1/20 0.57
HTR2A P28223 1/20 0.57
HTR2B P41595 1/20 0.57
LMNA P02545 4/20 0.55
CA12 O43570 2/20 0.55
ALDH1A1 P00352 2/20 0.55
CA2 P00918 2/20 0.55
CYP3A4 P08684 2/20 0.55
CA9 Q16790 2/20 0.55
CA14 Q9ULX7 2/20 0.55
CA5A P35218 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CA5B Q9Y2D0 1/20 0.55
HIF1A Q16665 4/20 0.53
TSHR P16473 2/20 0.53
ADRB2 P07550 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53

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
SCHEMBL477707 0.93 ADRB1 (0.52) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL19603047 0.86 LMNA (0.58) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL26988656 0.85 ADRB1 (0.46) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL11590544 0.84 ADRB1 (0.69) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL670817 0.84 ADRB1 (0.57) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL9616897 0.81 LMNA (0.58) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL11409149 0.81 ADRB1 (0.46) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL10546012 0.81 BRD4 (0.48) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL2026260 0.80 ADRB1 (0.64) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL12641100 0.80 ADRB1 (0.53) ADRB1ADRA1AMIFHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765792-B1 SULFAMIC ACID ESTER COMPOUNDS USEFUL IN THE INHIBITION OF STEROID SULPHATASE ACTIVITY AND AROMATASE ACTIVITY STERIX LTD (GB) 2012-08-29 EP disclosed
EP-1765792-B1 SULFAMIC ACID ESTER COMPOUNDS USEFUL IN THE INHIBITION OF STEROID SULPHATASE ACTIVITY AND AROMATASE ACTIVITY STERIX LTD (GB) 2012-08-29 EP 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-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 ADRB1 3402/4885ADRA1A 3916/4885MIF 2375/4885
US-20070213383-A1 Sulfamic acid ester compounds useful in the inhibition of steroid sulphatase activity and aromatase activity STS, SULT1E1, CYP19A1 ADRB1 2701/4885ADRA1A 2799/4885MIF 3545/4885

“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.