SCHEMBL57472

SCHEMBL57472

CC(C)(C)OC(=O)N1CCC(S(N)(=O)=O)C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.44
EPHX1 P07099 1/20 0.44
GPR119 Q8TDV5 4/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
STS P08842 3/20 0.41
NR1H2 P55055 1/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL18246716 0.91 MEN1 (0.50) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL18247076 0.91 MEN1 (0.50) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL18246717 0.91 MEN1 (0.50) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL56404 0.90 HPGD (0.53) HPGDRECQLEPHX1GPR119MAPT
SCHEMBL20599655 0.87 NR1H2 (0.49) HPGDRECQLEPHX1GPR119MAPT
SCHEMBL20232906 0.87 EPHX1 (0.45) HPGDRECQLEPHX1GPR119MAPT
SCHEMBL20213925 0.87 EPHX1 (0.45) HPGDRECQLEPHX1GPR119MAPT
SCHEMBL29014961 0.86 RECQL (0.49) HPGDRECQLEPHX1GPR119MAPT
SCHEMBL20635838 0.85 HPGD (0.55) HPGDRECQLEPHX1GPR119MAPT
SCHEMBL55991 0.84 HPGD (0.47) HPGDRECQLEPHX1GPR119MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119219637-A Aromatic heterobicyclic compounds and antiviral uses thereof 苏州爱科百发生物医药技术有限公司 2024-12-31 CN disclosed
US-11634390-B2 Agricultural chemicals GLOBACHEM NV (BE) 2023-04-25 US disclosed
US-11634390-B2 Agricultural chemicals GLOBACHEM NV (BE) 2023-04-25 US disclosed
US-20220227707-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2022-07-21 US disclosed
EP-3914583-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-12-01 EP disclosed
CN-113316566-A Compounds and compositions for treating conditions associated with NLRP activity 诺华股份有限公司 2021-08-27 CN disclosed
WO-2020154321-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-07-30 WO disclosed
WO-2020154321-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-07-30 WO disclosed
US-20190322627-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-10-24 US disclosed
US-8129546-B2 Derivatives for modulation of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-06 US disclosed
US-20110077269-A1 DERIVATIVES FOR MODULATION OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 US disclosed
US-7842819-B2 Derivatives for modulation of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 US disclosed
US-20070203122-A1 Derivatives for modulation of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-08-30 US 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 (5 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-20070203122-A1 Derivatives for modulation of ion channels TRPV1, TRPA1, TRPV2 HPGD 1667/4885RECQL 4079/4885EPHX1 2702/4885
US-20190322627-A1 AGRICULTURAL CHEMICALS DDT, DHFR, AS3MT HPGD 935/4885RECQL 1438/4885EPHX1 152/4885
US-20110077269-A1 DERIVATIVES FOR MODULATION OF ION CHANNELS TRPV1, TRPA1, TRPV2 HPGD 1667/4885RECQL 4079/4885EPHX1 2702/4885
US-11634390-B2 Agricultural chemicals DDT, DHFR, AS3MT HPGD 935/4885RECQL 1438/4885EPHX1 152/4885
US-20220227707-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 HPGD 1638/4885RECQL 3112/4885EPHX1 1201/4885

“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.