SCHEMBL2952898

SCHEMBL2952898

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STS P08842 11/20 1.00
TGFBR1 P36897 1/20 0.50
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN6 P29350 1/20 0.49
SFRP1 Q8N474 1/20 0.48
EPHX2 P34913 2/20 0.48
TACR1 P25103 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL13932867 0.85 STS (0.74) STSTGFBR1SFRP1EPHX2
SCHEMBL2921990 0.82 STS (0.70) STSTGFBR1TACR1
SCHEMBL22089514 0.78 STS (0.77) STSTGFBR1PTPN2PTPN1PTPN6
SCHEMBL22503103 0.77 STS (0.62) STSPTPN2PTPN1PTPN6EPHX2
SCHEMBL2925179 0.77 STS (0.62) STSEPHX2TACR1
SCHEMBL2920158 0.77 STS (0.62) STSTGFBR1SFRP1TACR1
SCHEMBL15555181 0.76 STS (0.62) STSTGFBR1PTPN2PTPN1PTPN6
SCHEMBL4725927 0.76 SFRP1 (0.77) STSSFRP1
Tert-Butyl Formate SCHEMBL27590706 0.76 STS (0.61) STSSFRP1EPHX2TACR1
SCHEMBL16895185 0.76 PTPN2 (0.61) STSPTPN2PTPN1PTPN6EPHX2

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 10 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
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 (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-20080293758-A1 Combination of a Steroid Sulfatase Inhibitor and an Ascomycin STS, ARSA, CYP17A1 STS 1/4885TGFBR1 4342/4885PTPN2 1898/4885
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS STS, SERPINB1, MPO STS 1/4885TGFBR1 4038/4885PTPN2 1387/4885

“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.