SCHEMBL2926008

SCHEMBL2926008

CC(C)(C)OC(=O)N1C2CCC1CC(=C(C#N)C(=O)NS(=O)(=O)c1c(Cl)sc(Cl)c1Br)C2

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
STS P08842 5/20 0.56
MYC P01106 2/20 0.35
MAX P61244 2/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HSD11B1 P28845 1/20 0.33

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
SCHEMBL2948321 0.74 STS (0.57) STSMYCMAXCHRM2CHRM1
SCHEMBL2923959 0.72 STS (1.00) STSMYCMAX
SCHEMBL2922133 0.71 CHRM2 (0.48) CHRM2CHRM1CHRM3HSD11B1
SCHEMBL15437709 0.71 CHRM2 (0.48) CHRM2CHRM1CHRM3HSD11B1
SCHEMBL2924960 0.71 CHRM2 (0.50) CHRM2CHRM1CHRM3HSD11B1
SCHEMBL8011456 0.68 STS (0.70) STSMYCMAX
SCHEMBL22801858 0.68 CHRM2 (0.54) CHRM2CHRM1CHRM3HSD11B1
SCHEMBL2919064 0.66 STS (0.66) STSMYCMAX
SCHEMBL2919071 0.66 STS (0.66) STSMYCMAX
SCHEMBL15437439 0.63 CHRM2 (0.39) CHRM2CHRM1CHRM3HSD11B1

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-2228364-A1 Acylsulfonamides as inhibitors of steroid sulfatase Novartis AG (CH) 2010-09-15 EP disclosed
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS MEINGASSNER JOSEF GOTTFRIED 2009-09-10 US disclosed
US-7482462-B2 Acylsulfonamides as inhibitors of steroid sulfatase NOVARTIS AG (CH) 2009-01-27 US disclosed
US-20080293758-A1 Combination of a Steroid Sulfatase Inhibitor and an Ascomycin NOVARTIS AG (CH) 2008-11-27 US disclosed
EP-1861098-A1 ANTI-INFLAMMATORY COMPOUNDS Novartis AG (CH) 2007-12-05 EP disclosed
EP-1861099-A2 COMBINATION OF A STEROID SULFATASE INHIBITOR AND AN ASCOMYCIN Novartis AG (CH) 2007-12-05 EP disclosed
WO-2006097293-A2 COMBINATION OF A STEROID SULFATASE INHIBITOR AND AN ASCOMYCIN NOVARTIS AG (CH) 2006-09-21 WO disclosed
WO-2006097292-A1 ANTI-INFLAMMATORY COMPOUNDS NOVARTIS AG (CH) 2006-09-21 WO disclosed
US-20050059712-A1 Acylsulfonamides as inhibitors of steroid sulfatase NOVARTIS AG (CH) 2005-03-17 US disclosed
EP-1436253-A1 ACYLSULFONAMIDES AS INHIBITORS OF STEROID SULFATASE Novartis AG (CH) 2004-07-14 EP disclosed
WO-2003031397-A1 ACYLSULFONAMIDES AS INHIBITORS OF STEROID SULFATASE NOVARTIS AG (CH) 2003-04-17 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-20080293758-A1 Combination of a Steroid Sulfatase Inhibitor and an Ascomycin STS, ARSA, CYP17A1 STS 1/4885MYC 2565/4885MAX 3361/4885
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS STS, SERPINB1, MPO STS 1/4885MYC 4795/4885MAX 4794/4885
US-20050059712-A1 Acylsulfonamides as inhibitors of steroid sulfatase STS, SULT2A1, ARSA STS 1/4885MYC 4823/4885MAX 4785/4885

“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.