SCHEMBL309646

SCHEMBL309646

O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.58
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
PKM P14618 2/20 0.52
EPHX2 P34913 3/20 0.52
ALDH1A1 P00352 1/20 0.51
LIPE Q05469 1/20 0.49
NPC1 O15118 1/20 0.49
PKLR P30613 1/20 0.49
RAB9A P51151 1/20 0.49
EPHX1 P07099 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
Pyridine SCHEMBL28254897 0.90 MEN1 (0.52) MAPTMEN1KMT2APKMEPHX2
SCHEMBL29460579 0.86 MEN1 (0.62) MEN1KMT2APKMEPHX2ALDH1A1
SCHEMBL20456429 0.84 USP2 (0.65) MEN1KMT2AEPHX2ALDH1A1
SCHEMBL27848166 0.83 MEN1 (0.55) MEN1KMT2APKMEPHX2LIPE
SCHEMBL25145662 0.83 PKM (0.55) MAPTMEN1KMT2APKMALDH1A1
SCHEMBL30484934 0.83 MEN1 (0.54) MEN1KMT2AEPHX2LIPEEPHX1
SCHEMBL28485534 0.82 LMNA (0.69) MEN1KMT2APKMEPHX2ALDH1A1
SCHEMBL423931 0.82 KMT2A (0.58) MEN1KMT2APKMEPHX2LIPE
SCHEMBL2171815 0.82 EPHX2 (0.61) MAPTMEN1KMT2APKMEPHX2
SCHEMBL2297132 0.82 MEN1 (0.54) MEN1KMT2APKMEPHX2LIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112209910-B Myricetin derivative containing sulfonyl piperazine, preparation method and application 贵州大学 2023-10-17 CN disclosed
WO-2023062049-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 WO disclosed
WO-2015013835-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-02-05 WO disclosed
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-8546397-B2 DNA methylation inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 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
US-20100016330-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-21 US disclosed
US-20100016330-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-21 US disclosed
US-20100016330-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-21 US disclosed
WO-2007137098-A2 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2007-11-29 WO disclosed
US-20070270434-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2007-11-22 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 (4 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-20100016330-A1 Novel Derivatives CACNB2, CACNA1B, CACNA1D MAPT 1474/4885MEN1 4136/4885KMT2A 3821/4885
US-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS CACNA1B, CACNB2, CACNA1C MAPT 1478/4885MEN1 3613/4885KMT2A 2770/4885
US-20060281920-A1 Derivatives of hydroxamic acid as metalloproteinase inhibitors MMP13, MMP3, MMP1 MAPT 4843/4885MEN1 3072/4885KMT2A 2069/4885
US-20070270434-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARD, PPARG, PPARA MAPT 4514/4885MEN1 4817/4885KMT2A 3154/4885

“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.