SCHEMBL2060104

SCHEMBL2060104

COc1ccc(C(O)c2ccc(OC)c(OCc3ccccc3)c2)cc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
KMT2A Q03164 3/20 0.55
BCHE P06276 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
F2 P00734 1/20 0.50
F10 P00742 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
PRSS3 P35030 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.49

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
SCHEMBL4819752 0.94 SMPD1 (0.51) SMPD1HDAC1HDAC8HDAC6KMT2A
SCHEMBL14168120 0.94 NPC1 (0.57) KMT2ABCHESMN1; SMN2NPC1HPGD
SCHEMBL9586284 0.91 SMPD1 (0.56) SMPD1HDAC1HDAC8HDAC6KMT2A
SCHEMBL3565827 0.90 SMPD1 (0.54) SMPD1HDAC1HDAC8HDAC6KMT2A
SCHEMBL8843624 0.88 SMPD1 (0.53) SMPD1HDAC1HDAC8HDAC6KMT2A
SCHEMBL22420299 0.88 MAPK1 (0.46) SMPD1HDAC1HDAC8HDAC6KMT2A
SCHEMBL7369879 0.88 NPC1 (0.51) KMT2ABCHESMN1; SMN2NPC1HPGD
SCHEMBL16231335 0.88 KMT2A (0.53) KMT2ABCHESMN1; SMN2NPC1HPGD
SCHEMBL7368553 0.86 NPC1 (0.50) KMT2ABCHESMN1; SMN2NPC1HPGD
SCHEMBL7369189 0.86 MRGPRX4 (0.56) KMT2ABCHESMN1; SMN2NPC1HPGD

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 7 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-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 SMPD1 1739/4885HDAC1 592/4885HDAC8 1340/4885
US-20070213383-A1 Sulfamic acid ester compounds useful in the inhibition of steroid sulphatase activity and aromatase activity STS, SULT1E1, CYP19A1 SMPD1 1309/4885HDAC1 1703/4885HDAC8 1866/4885

“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.