SCHEMBL2060137

SCHEMBL2060137

COc1ccc(CN(c2ccc(C#N)cc2)n2cnnc2)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 20/20 1.00
STS P08842 1/20 0.71

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
SCHEMBL13292451 0.91 CYP19A1 (1.00) CYP19A1STS
SCHEMBL13292452 0.86 CYP19A1 (0.82) CYP19A1
SCHEMBL14548948 0.85 CYP19A1 (0.74) CYP19A1STS
SCHEMBL2060244 0.84 CYP19A1 (0.77) CYP19A1STS
SCHEMBL2060092 0.84 CYP19A1 (1.00) CYP19A1
SCHEMBL13292450 0.83 CYP19A1 (1.00) CYP19A1STS
SCHEMBL14426838 0.83 CYP19A1 (1.00) CYP19A1STS
SCHEMBL14548947 0.83 CYP19A1 (0.72) CYP19A1STS
SCHEMBL14193126 0.83 CYP19A1 (0.72) CYP19A1STS
SCHEMBL2060187 0.83 CYP19A1 (1.00) CYP19A1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446388-B1 1,2,4-TRIAZOLE DERIVATIVES CONTAINING A SULPHAMATE GROUP AS AROMATASE INHIBITORS STERIX LTD (GB) 2013-01-09 EP disclosed
CN-101333196-B 1,2,4-triazole derivatives containing a sulphamate group as aromatase inhibitors STERIX LTD 2012-06-27 CN 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-7745472-B2 Compound STERIX LIMITED (GB) 2010-06-29 US disclosed
US-7745472-B2 Compound STERIX LIMITED (GB) 2010-06-29 US disclosed
US-7745472-B2 Compound STERIX LIMITED (GB) 2010-06-29 US disclosed
US-20090111862-A1 Compound RICHTER GEDEON NYRT. (HU) 2009-04-30 US disclosed
US-20090111862-A1 Compound RICHTER GEDEON NYRT. (HU) 2009-04-30 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
US-7098343-B2 Polycyclic compounds containing a central trivalent atom to which is attached either direct or indirectly via a linker a two or three ring system and a ring system contining sulphamate group as substituent; steroid sulfatase inhibitor STERIX, LIMITED (GB) 2006-08-29 US disclosed
US-20060142360-A1 Compound RICHTER GEDEON NYRT. (HU) 2006-06-29 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
CN-1599728-A Sulfamate-containing 1,2, 4-triazole derivatives as aromatase inhibitors STERIX LTD (GB) 2005-03-23 CN disclosed
EP-1446388-A1 1,2,4-TRIAZOLE DERIVATIVES CONTAINING A SULPHAMATE GROUP AS AROMATASE INHIBITORS Sterix Limited (GB) 2004-08-18 EP disclosed
US-20040019016-A1 Polycyclic compounds containing a central trivalent atom to which is attached either direct or indirectly via a linker a two or three ring system and a ring system contining sulphamate group as substituent; steroid sulfatase inhibitor RICHTER GEDEON NYRT. (HU) 2004-01-29 US disclosed
WO-2003045925-A1 1,2,4-TRIAZOLE DERIVATIVES CONTAINING A SULPHAMATE GROUP AS AROMATASE INHIBITORS STERIX LIMITED (GB) 2003-06-05 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 (5 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-20090111862-A1 Compound QPCT, SQOR, SDHA CYP19A1 1845/4885STS 496/4885
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 CYP19A1 3/4885STS 1/4885
US-20070213383-A1 Sulfamic acid ester compounds useful in the inhibition of steroid sulphatase activity and aromatase activity STS, SULT1E1, CYP19A1 CYP19A1 3/4885STS 1/4885
US-20060142360-A1 Compound QPCT, SQOR, SDHA CYP19A1 1845/4885STS 496/4885
US-20040019016-A1 Polycyclic compounds containing a central trivalent atom to which is attached either direct or indirectly via a linker a two or three ring system and a ring system contining sulphamate group as substituent; steroid sulfatase inhibitor STS, CYP21A2, SULT1E1 CYP19A1 66/4885STS 1/4885

“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.