SCHEMBL4131317

SCHEMBL4131317

CC(C)(C)OC(=O)N1CCN(C(N)=O)CC1.O=C(NS(=O)(=O)O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STS P08842 6/20 0.56
MAPT P10636 1/20 0.44
TACR1 P25103 1/20 0.41
TGFBR1 P36897 1/20 0.41
TGM2 P21980 5/20 0.39
F13A1 P00488 3/20 0.39
GPR119 Q8TDV5 3/20 0.39
TGM1 P22735 1/20 0.38
GAA P10253 1/20 0.38
PARP14 Q460N5 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
SCHEMBL4137206 0.82 STS (0.50) STSMAPTTACR1TGFBR1GPR119
SCHEMBL2916404 0.78 STS (0.55) STSMAPTTACR1TGFBR1TGM2
SCHEMBL2920158 0.77 STS (0.62) STSTACR1TGFBR1GPR119SCN9A
SCHEMBL2921629 0.76 STS (0.53) STSMAPTTACR1TGFBR1GPR119
SCHEMBL4131323 0.76 STS (0.43) STSMAPT
SCHEMBL7803789 0.72 KDM4E (0.69) STSTACR1TGFBR1GPR119
SCHEMBL2952898 0.72 STS (1.00) STSTACR1TGFBR1
SCHEMBL23217017 0.71 STS (0.54) STSMAPTTACR1GPR119
SCHEMBL447435 0.71 STS (0.49) STSMAPTTACR1GPR119
SCHEMBL8662177 0.71 USP2 (0.58) MAPTGPR119

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042899-A1 Piperazinyl-or piperidinylamine-sulfamic acid amides as inhibitors of steroid sulfatase LEHR PHILIPP 2009-02-12 US disclosed
US-7439362-B2 Piperazinyl-or piperidinylamine-sulfamic acid amides as inhibitors of steroid sulfatase NOVARTIS AG (CH) 2008-10-21 US disclosed
US-20060052393-A1 Piperazinyl-or piperidinylamine-sulfamic acid amides as inhibitors of steroid sulfatase NOVARTIS AG (CH) 2006-03-09 US disclosed
EP-1492782-A1 PIPERAZINYL- OR PIPERIDINYLAMINE-SULFAMIC ACID AMIDES AS INHIBITORS OF STEROID SULFATASE Novartis AG (CH) 2005-01-05 EP disclosed
WO-2003082842-A1 PIPERAZINYL- OR PIPERIDINYLAMINE-SULFAMIC ACID AMIDES AS INHIBITORS OF STEROID SULFATASE NOVARTIS AG (CH) 2003-10-09 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-20090042899-A1 Piperazinyl-or piperidinylamine-sulfamic acid amides as inhibitors of steroid sulfatase STS, SULT2A1, ARSA STS 1/4885MAPT 4253/4885TACR1 1098/4885
US-20060052393-A1 Piperazinyl-or piperidinylamine-sulfamic acid amides as inhibitors of steroid sulfatase STS, SELENOI, SULT2A1 STS 1/4885MAPT 4507/4885TACR1 1430/4885

“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.