SCHEMBL4146167

SCHEMBL4146167

CC(C)(C)OC(=O)N1CCC(N(Cc2ccccc2)S(=O)(=O)NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.54
TACR1 P25103 4/20 0.48
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TGFBR1 P36897 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
PTPRB P23467 1/20 0.45
PTPN11 Q06124 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GPR119 Q8TDV5 1/20 0.44
SGMS1 Q86VZ5 1/20 0.43
SGMS2 Q8NHU3 1/20 0.43
LIMK2 P53671 1/20 0.43
CETP P11597 1/20 0.43

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
SCHEMBL4144649 0.81 DCUN1D1 (0.50) TACR1
Hydrochloric Acid SCHEMBL4146160 0.80 DCUN1D1 (0.49) TACR1
SCHEMBL4131432 0.79 STS (0.57) STSJAK2JAK1KDM4EPKM
SCHEMBL2920158 0.77 STS (0.62) STSTACR1TGFBR1KDM4EPKM
SCHEMBL2960832 0.76 STS (0.52) STSJAK2JAK1PTPRBPTPN11
SCHEMBL3012474 0.74 JAK2 (0.62) STSJAK2JAK1KDM4EPKM
SCHEMBL4306665 0.73 MEN1 (0.51) STSTACR1JAK2JAK1TGFBR1
SCHEMBL4306235 0.73 MEN1 (0.53) STSTACR1JAK2JAK1TGFBR1
SCHEMBL803527 0.73 JAK2 (0.74) STSJAK2JAK1KDM4EPKM
SCHEMBL7803789 0.72 KDM4E (0.69) STSTACR1TGFBR1KDM4EPKM

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 1/4885TACR1 1098/4885JAK2 1860/4885
US-20060052393-A1 Piperazinyl-or piperidinylamine-sulfamic acid amides as inhibitors of steroid sulfatase STS, SELENOI, SULT2A1 STS 1/4885TACR1 1430/4885JAK2 1675/4885

“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.