SCHEMBL393052

SCHEMBL393052

O=C([O-])CC1=NS(=O)(=O)c2cnccc2N1.[Na+]

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 known ✓ O43570 1/20 0.31
CA1 known ✓ P00915 1/20 0.31
CA2 known ✓ P00918 1/20 0.31
ALDH1A1 P00352 6/20 0.38
MAPT P10636 5/20 0.34
NAMPT P43490 1/20 0.33
NPC1 O15118 1/20 0.33
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA9 Q16790 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL8761359 0.86 ALDH1A1 (0.45) ALDH1A1MAPTNAMPTNPC1MEN1
SCHEMBL393126 0.73 ALDH1A1 (0.36) ALDH1A1MAPTNPC1MEN1USP2
Water SCHEMBL27490788 0.69 CA12 (0.37) ALDH1A1MAPTNAMPTMEN1KMT2A
SCHEMBL393520 0.68
SCHEMBL6621056 0.66 CA12 (0.38) ALDH1A1MAPTNAMPTLMNACYP1A2
SCHEMBL6617628 0.65 KDM4D (0.45) MAPTNAMPTNPC1MEN1KMT2A
SCHEMBL6619437 0.65 CXCR2 (0.35) ALDH1A1MAPTCA12CA1CA2
SCHEMBL6618015 0.65 CA12 (0.34) ALDH1A1NAMPTLMNACYP1A2CYP3A4
SCHEMBL8623804 0.64 KDM6B (0.40) ALDH1A1NAMPTLMNACYP1A2CYP3A4
SCHEMBL6617236 0.64 CA12 (0.36) ALDH1A1NAMPTLMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2129224-B1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS INC (US) 2016-03-30 EP disclosed
US-9156832-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed
US-20150065492-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS INC (US) 2015-03-05 US disclosed
US-8765741-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-20140031346-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2014-01-30 US disclosed
US-8546602-B2 5,6-D hydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
US-20120302744-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2012-11-29 US disclosed
US-8236948-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2012-08-07 US disclosed
US-20120130068-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-8101800-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-20110166344-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2011-07-07 US disclosed
US-7939524-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2011-05-10 US disclosed
US-20100034773-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2010-02-11 US disclosed
EP-2129224-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS Anadys Pharmaceuticals, Inc. (US) 2009-12-09 EP disclosed
WO-2008124450-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-10-16 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 (6 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-20110166344-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS DPYD, NQO1, MT-ND5 CA12 4349/4885CA1 4194/4885CA2 4176/4885
US-20100034773-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS HAVCR2, PYGL, HCCS CA12 4800/4885CA1 4878/4885CA2 4838/4885
US-20120302744-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS DPYD, NQO1, MT-ND5 CA12 4349/4885CA1 4194/4885CA2 4176/4885
US-20120130068-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS DPYD, NQO1, MT-ND5 CA12 4349/4885CA1 4194/4885CA2 4176/4885
US-20140031346-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS HAVCR2, CCR3, C5 CA12 2294/4885CA1 3513/4885CA2 3451/4885
US-20150065492-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS HAVCR2, PYGL, HCCS CA12 4800/4885CA1 4878/4885CA2 4838/4885

“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.