SCHEMBL1828117

SCHEMBL1828117

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 9/20 0.61
F13A1 P00488 6/20 0.61
TGM1 P22735 3/20 0.59
PKM P14618 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
EPHX2 P34913 2/20 0.53
GPR119 Q8TDV5 1/20 0.51
LIPE Q05469 2/20 0.50
SCN9A Q15858 1/20 0.49
EPHX1 P07099 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49

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
SCHEMBL18153290 0.86 PKM (0.66) TGM2F13A1TGM1PKM
SCHEMBL18702188 0.86 EPHX2 (0.53) PKMSMN1; SMN2EPHX2LIPESCN9A
SCHEMBL25296793 0.86 LIPE (0.46) TGM2F13A1TGM1EPHX2GPR119
SCHEMBL29076533 0.85 EPHX2 (0.52) PKMSMN1; SMN2EPHX2LIPESCN9A
SCHEMBL309243 0.85 TGM2 (0.64) TGM2F13A1TGM1PKMEPHX2
SCHEMBL18711920 0.85 MEN1 (0.55) PKMSMN1; SMN2EPHX2LIPESCN9A
SCHEMBL1181084 0.85 PKM (0.73) TGM2F13A1TGM1PKM
SCHEMBL22032771 0.84 TGM2 (0.60) TGM2F13A1TGM1PKMSMN1; SMN2
SCHEMBL18410584 0.83 TGM2 (0.65) TGM2F13A1TGM1PKMSMN1; SMN2
SCHEMBL1106926 0.83 TGM2 (0.59) TGM2F13A1TGM1PKMSMN1; SMN2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2533782-B1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS CONVERGENCE PHARMACEUTICALS (GB) 2014-09-24 EP disclosed
EP-2533782-B1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS CONVERGENCE PHARMACEUTICALS (GB) 2014-09-24 EP disclosed
US-8697703-B2 Piperazine derivatives for blocking Cav2.2 calcium channels Convergence Pharmaceuticals Limited (GB) 2014-04-15 US disclosed
US-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited 2013-03-21 US disclosed
US-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited 2013-03-21 US disclosed
US-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited 2013-03-21 US disclosed
EP-2533782-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2012-12-19 EP disclosed
CN-1930139-B Derivatives of hydroxamic acid as metalloproteinase inhibitors VERNALIS OXFORD LTD 2011-07-27 CN disclosed
WO-2011086377-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2011-07-21 WO disclosed
WO-2011086377-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2011-07-21 WO disclosed
US-20100280018-A1 Derivatives Of Hydroxamic Acid As Metalloproteinase Inhibitors LABORATOIRES SERONO S.A. (CH) 2010-11-04 US disclosed
US-20100280018-A1 Derivatives Of Hydroxamic Acid As Metalloproteinase Inhibitors LABORATOIRES SERONO S.A. (CH) 2010-11-04 US disclosed
US-7786121-B2 Derivatives of hydroxamic acid as metalloproteinase inhibitors VERNALIS (OXFORD) LIMITED (GB) 2010-08-31 US disclosed
US-7786121-B2 Derivatives of hydroxamic acid as metalloproteinase inhibitors VERNALIS (OXFORD) LIMITED (GB) 2010-08-31 US disclosed
US-7786121-B2 Derivatives of hydroxamic acid as metalloproteinase inhibitors VERNALIS (OXFORD) LIMITED (GB) 2010-08-31 US disclosed
CN-1930139-A Derivatives of hydroxamic acid as metalloproteinase inhibitors VERNALIS OXFORD LTD (GB) 2007-03-14 CN disclosed
US-20060281920-A1 Derivatives of hydroxamic acid as metalloproteinase inhibitors VERNALIS (OXFORD) LIMITED (GB) 2006-12-14 US disclosed
EP-1660471-A1 DERIVATIVES OF HYDROXAMIC ACID AS METALLOPROTEINASE INHIBITORS Vernalis (Oxford) Ltd (GB) 2006-05-31 EP disclosed
WO-2005019194-A1 DERIVATIVES OF HYDROXAMIC ACID AS METALLOPROTEINASE INHIBITORS VERNALIS (OXFORD) LIMITED (GB) 2005-03-03 WO disclosed
WO-2005019194-A1 DERIVATIVES OF HYDROXAMIC ACID AS METALLOPROTEINASE INHIBITORS VERNALIS (OXFORD) LIMITED (GB) 2005-03-03 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-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS CACNA1B, CACNB2, CACNA1C TGM2 2022/4885F13A1 3540/4885TGM1 2831/4885
US-20060281920-A1 Derivatives of hydroxamic acid as metalloproteinase inhibitors MMP13, MMP3, MMP1 TGM2 2279/4885F13A1 707/4885TGM1 2260/4885
US-20100280018-A1 Derivatives Of Hydroxamic Acid As Metalloproteinase Inhibitors MMP3, MMP1, MMP13 TGM2 898/4885F13A1 235/4885TGM1 924/4885

“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.