SCHEMBL2916404

SCHEMBL2916404

CC(C)(C)OC(=O)N1CCC(=CS(=O)(=O)NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STS P08842 6/20 0.55
TGFBR1 P36897 3/20 0.44
MAPT P10636 1/20 0.41
TACR1 P25103 3/20 0.40
SCN9A Q15858 3/20 0.38
SFRP1 Q8N474 2/20 0.37
F13A1 P00488 1/20 0.37
TGM2 P21980 1/20 0.37
TGM1 P22735 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 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
SCHEMBL5281903 0.85 HDAC6 (0.37) STSTACR1
SCHEMBL4131317 0.78 STS (0.56) STSTGFBR1MAPTTACR1SCN9A
SCHEMBL2920158 0.76 STS (0.62) STSTGFBR1TACR1SCN9ASFRP1
SCHEMBL2921629 0.76 STS (0.53) STSTGFBR1MAPTTACR1
SCHEMBL22462942 0.74 STS (0.48) STSTGFBR1MAPTTACR1F13A1
SCHEMBL7803789 0.71 KDM4E (0.69) STSTGFBR1TACR1
SCHEMBL2952898 0.71 STS (1.00) STSTGFBR1TACR1SFRP1
SCHEMBL13932867 0.70 STS (0.74) STSTGFBR1SFRP1
SCHEMBL16113569 0.69 MAPT (0.54) STSTGFBR1MAPTTACR1
SCHEMBL5616886 0.69 HDAC6 (0.35) STSTACR1

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 1/4885TGFBR1 4342/4885MAPT 3209/4885
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS STS, SERPINB1, MPO STS 1/4885TGFBR1 4038/4885MAPT 3544/4885
US-20050059712-A1 Acylsulfonamides as inhibitors of steroid sulfatase STS, SULT2A1, ARSA STS 1/4885TGFBR1 2802/4885MAPT 4718/4885

“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.