SCHEMBL935778

SCHEMBL935778

COC(=O)c1cc(Br)cc(Br)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
NR4A2 P43354 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
NOTUM Q6P988 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
SLC6A3 Q01959 1/20 0.40
SOS1 Q07889 1/20 0.40
MAPT P10636 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39

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
SCHEMBL20903073 0.85 XDH (0.49) HSD17B10NR4A2ALDH1A1GAASOS1
SCHEMBL1229320 0.85 KDM4E (0.43) HSD17B10NR4A2NOTUMALDH1A1GAA
SCHEMBL30486068 0.85 XDH (0.49) HSD17B10NR4A2ALDH1A1GAASOS1
SCHEMBL31160526 0.83 GAA (0.44) HSD17B10NR4A2NOTUMALDH1A1GAA
SCHEMBL20503773 0.83 CA12 (0.50) NR4A2GAASOS1MAPTCA12
SCHEMBL23714914 0.83 CA12 (0.46) HSD17B10NR4A2NOTUMALDH1A1GAA
SCHEMBL1334346 0.83 GAA (0.50) HSD17B10NR4A2ALDH1A1GAASOS1
SCHEMBL23089980 0.83 GAA (0.44) HSD17B10NR4A2NOTUMALDH1A1GAA
SCHEMBL2226012 0.83 HSD17B10 (0.51) HSD17B10NR4A2AKR1C4AKR1C3AKR1C2
SCHEMBL28507481 0.83 HSD17B10 (0.43) HSD17B10AKR1C4AKR1C3AKR1C2AKR1C1

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-8470860-B2 Phenyl-sulfamates as aromatase inhibitors STERIX LIMITED (GB) 2013-06-25 US disclosed
US-20110021586-A1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS STERIX, LIMITED (GB) 2011-01-27 US disclosed
US-7763642-B2 Phenyl-sulfamates as aromatase inhibitors STERIX LTD. (GB) 2010-07-27 US disclosed
EP-1753732-B1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS STERIX LTD (GB) 2009-12-02 EP disclosed
US-20070117855-A1 Phenyl-sulfamates as aromatase inhibitors STERIX LIMITED (GB) 2007-05-24 US disclosed
EP-1753732-A1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS Sterix Limited (GB) 2007-02-21 EP disclosed
WO-2005118560-A1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS STERIX LIMITED (GB) 2005-12-15 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-20070117855-A1 Phenyl-sulfamates as aromatase inhibitors CYP19A1, CYP17A1, CYP21A2 HSD17B10 111/4885NR4A2 670/4885AKR1C4 127/4885
US-20110021586-A1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS CYP19A1, CYP17A1, CYP21A2 HSD17B10 111/4885NR4A2 670/4885AKR1C4 127/4885

“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.