SCHEMBL2921990

SCHEMBL2921990

CC(C)(C)OC(=O)N1CC2CCCCC(C1)C2C(=O)NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STS P08842 9/20 0.70
TACR1 P25103 3/20 0.43
TGFBR1 P36897 1/20 0.41
CNR1 P21554 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
GPR119 Q8TDV5 2/20 0.38
NR1H2 P55055 1/20 0.38
MAPT P10636 1/20 0.38
SCN9A Q15858 1/20 0.37

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
SCHEMBL8260726 0.85 STS (0.51) STSCNR1
SCHEMBL13229342 0.85 STS (0.51) STSCNR1
SCHEMBL8260230 0.84 STS (0.49) STSCNR1PSEN1PSEN2APH1B
SCHEMBL2952898 0.82 STS (1.00) STSTACR1TGFBR1
SCHEMBL13698765 0.81 STS (0.47) STSCNR1
SCHEMBL13175781 0.77 STS (0.43) STSCNR1
SCHEMBL13932867 0.75 STS (0.74) STSTGFBR1NR1H2
SCHEMBL29180653 0.69 NR1H2 (0.60) GPR119NR1H2MAPT
SCHEMBL20031478 0.69 NR1H2 (0.60) GPR119NR1H2MAPT
SCHEMBL5605623 0.69 STS (0.60) STSTACR1CNR1

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 14 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-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-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
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 1/4885TACR1 2079/4885TGFBR1 4342/4885
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS STS, SERPINB1, MPO STS 1/4885TACR1 1744/4885TGFBR1 4038/4885
US-20050059712-A1 Acylsulfonamides as inhibitors of steroid sulfatase STS, SULT2A1, ARSA STS 1/4885TACR1 226/4885TGFBR1 2802/4885

“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.