SCHEMBL2060174

SCHEMBL2060174

O=C(Oc1cc(CBr)ccc1Cl)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
KMT2A Q03164 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
HPGD P15428 3/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
TP53 P04637 1/20 0.43
XBP1 P17861 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL9339364 0.86 KMT2A (0.56) CES2CES1KMT2ASMN1; SMN2MAPT
SCHEMBL2060208 0.82 CYP4F2 (0.48) CYP4F2CYP4A11CES2CES1KMT2A
SCHEMBL9340141 0.81 KMT2A (0.69) KMT2ASMN1; SMN2MAPTMEN1TDP1
SCHEMBL4798869 0.80 CES2 (0.53) CES2CES1KMT2ASMN1; SMN2MAPT
SCHEMBL27852004 0.80 ESR1 (0.67) KMT2ASMN1; SMN2MAPTMEN1TDP1
SCHEMBL10728499 0.80 CYP4F2 (0.51) CYP4F2CYP4A11TDP1CYP3A4NPC1
SCHEMBL2060065 0.78 KMT2A (0.49) KMT2ASMN1; SMN2MAPTMEN1TDP1
SCHEMBL5706002 0.77 KMT2A (0.63) KMT2ASMN1; SMN2MAPTMEN1ESR1
SCHEMBL7616356 0.76 CES2 (0.59) CES2CES1KMT2ASMN1; SMN2MAPT
SCHEMBL8491879 0.75 EGFR (0.47) KMT2ASMN1; SMN2MAPTMEN1TDP1

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 16 patents. 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
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-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-7361677-B2 Polycyclic sulphamate compounds suitable for use as inhibitors of aromatase and/or sulphatase STERIX, LTD. (GB) 2008-04-22 US disclosed
US-7361677-B2 Polycyclic sulphamate compounds suitable for use as inhibitors of aromatase and/or sulphatase STERIX, LTD. (GB) 2008-04-22 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 (3 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 CYP4F2 247/4885CYP4A11 1242/4885CES2 1814/4885
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 CYP4F2 629/4885CYP4A11 470/4885CES2 1236/4885
US-20070213383-A1 Sulfamic acid ester compounds useful in the inhibition of steroid sulphatase activity and aromatase activity STS, SULT1E1, CYP19A1 CYP4F2 67/4885CYP4A11 56/4885CES2 233/4885

“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.