SCHEMBL2926865

SCHEMBL2926865

CC(C)(C)OC(=O)N1CCC(C2(C(=O)O)CCCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
EPHX1 P07099 1/20 0.49
GPR119 Q8TDV5 5/20 0.46
RECQL P46063 1/20 0.46
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
HSD17B10 Q99714 1/20 0.42
THRB P10828 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PKM P14618 1/20 0.41
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL19410867 0.94 HPGD (0.50) HPGDEPHX1GPR119RECQLUSP2
SCHEMBL28579258 0.89 HPGD (0.46) HPGDEPHX1GPR119RECQLUSP2
SCHEMBL396843 0.88 EPHX1 (0.49) HPGDEPHX1GPR119RECQLUSP2
SCHEMBL4609802 0.87 EPHX1 (0.51) HPGDEPHX1GPR119RECQLUSP2
SCHEMBL31170608 0.84 HPGD (0.47) HPGDEPHX1GPR119RECQLUSP2
SCHEMBL30493418 0.82 HPGD (0.43) HPGDEPHX1GPR119RECQLUSP2
SCHEMBL2927398 0.82 HPGD (0.46) HPGDEPHX1GPR119RECQLUSP2
SCHEMBL25271054 0.79 HPGD (0.44) HPGDEPHX1GPR119RECQLUSP2
SCHEMBL31567046 0.79 HPGD (0.41) HPGDEPHX1GPR119RECQLUSP2
SCHEMBL31170374 0.79 HPGD (0.48) HPGDEPHX1GPR119RECQLUSP2

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 13 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
CN-101137374-A Combination of a steroid sulfatase inhibitor and an ascomycin NOVARTIS AG (CH) 2008-03-05 CN disclosed
CN-101137375-A Anti-inflammatory compounds NOVARTIS AG (CH) 2008-03-05 CN 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 HPGD 2058/4885EPHX1 922/4885GPR119 2313/4885
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS STS, SERPINB1, MPO HPGD 301/4885EPHX1 379/4885GPR119 1289/4885
US-20050059712-A1 Acylsulfonamides as inhibitors of steroid sulfatase STS, SULT2A1, ARSA HPGD 836/4885EPHX1 964/4885GPR119 1437/4885

“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.