SCHEMBL4131432

SCHEMBL4131432

CC(C)(C)OC(=O)N1CCC(N(Cc2ccccc2)S(N)(=O)=O)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.57
JAK2 O60674 1/20 0.57
JAK1 P23458 1/20 0.57
PTPRB P23467 1/20 0.52
PTPN11 Q06124 1/20 0.52
GPR119 Q8TDV5 7/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
USP30 Q70CQ3 2/20 0.49
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
HSD11B1 P28845 1/20 0.48
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL2960832 0.85 STS (0.52) STSJAK2JAK1PTPRBPTPN11
SCHEMBL3012474 0.84 JAK2 (0.62) STSJAK2JAK1PTPRBPTPN11
SCHEMBL803527 0.83 JAK2 (0.74) STSJAK2JAK1PTPRBPTPN11
SCHEMBL28746678 0.83 CA2 (0.49) MEN1KMT2A
SCHEMBL618193 0.81 JAK2 (0.59) STSJAK2JAK1PTPRBPTPN11
SCHEMBL29243644 0.80 JAK2 (0.66) STSJAK2JAK1PTPRBPTPN11
SCHEMBL29243776 0.80 JAK2 (0.66) STSJAK2JAK1PTPRBPTPN11
SCHEMBL3617960 0.80 JAK2 (0.55) STSJAK2JAK1PTPRBPTPN11
SCHEMBL7608032 0.80 GPR119 (0.52) STSGPR119MEN1KMT2AUSP30
SCHEMBL13853353 0.80 OPRM1 (0.60) STSJAK2JAK1PTPRBPTPN11

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 1/4885JAK2 1860/4885JAK1 3209/4885
US-20060052393-A1 Piperazinyl-or piperidinylamine-sulfamic acid amides as inhibitors of steroid sulfatase STS, SELENOI, SULT2A1 STS 1/4885JAK2 1675/4885JAK1 3167/4885

“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.