SCHEMBL390917

SCHEMBL390917

CS(=O)(=O)O.Nc1ccc(N)c(S(N)(=O)=O)c1

nearest known ligand 0.48

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

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
ALDH1A1 P00352 6/20 0.48
RECQL P46063 3/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CA12 O43570 5/20 0.45
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CA4 P22748 5/20 0.45
CA9 Q16790 5/20 0.45
CA14 Q9ULX7 5/20 0.45
CA6 P23280 4/20 0.45
CA5A P35218 4/20 0.45
CA7 P43166 4/20 0.45
CA5B Q9Y2D0 4/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL31095544 0.90 CA2 (0.54) ALDH1A1RECQLCYP3A4TSHRTHRB
SCHEMBL393315 0.90 CA2 (0.54) ALDH1A1RECQLCYP3A4TSHRTHRB
SCHEMBL29349546 0.79 ALDH1A1 (0.55) ALDH1A1RECQLCYP3A4TSHRTHRB
SCHEMBL115254 0.79 ALDH1A1 (0.55) ALDH1A1RECQLCYP3A4TSHRTHRB
SCHEMBL9175606 0.79 L3MBTL1 (0.61) ALDH1A1RECQLCYP3A4TSHRTHRB
SCHEMBL10487054 0.78 ALDH1A1 (0.53) ALDH1A1RECQLCYP3A4TSHRTHRB
SCHEMBL10487045 0.78 ALDH1A1 (0.53) ALDH1A1RECQLCYP3A4TSHRTHRB
Ammonia Solution, Strong SCHEMBL7551537 0.78 ALDH1A1 (0.53) ALDH1A1RECQLCYP3A4TSHRTHRB
Lithium SCHEMBL30894455 0.78 ALDH1A1 (0.53) ALDH1A1RECQLCYP3A4TSHRTHRB
Lithium SCHEMBL30894454 0.78 ALDH1A1 (0.53) ALDH1A1RECQLCYP3A4TSHRTHRB

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 22 patents — showing the first 20. 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
CN-104086540-A Preparation method for 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS INC 2014-10-08 CN disclosed
US-8765741-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
CN-101677563-B 5, 6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS INC 2014-06-25 CN disclosed
US-20140066396-A1 METHOD OF INHIBITING HEPATITUS C VIRUS BY COMBINATION OF A 5,6-DIHYDRO-1H-PYRIDIN-2-ONE AND ONE OR MORE ADDITIONAL ANTIVIRAL COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2014-03-06 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
EP-2346329-B1 A METHOD OF INHIBITING HEPATITIS C VIRUS BY COMBINATION OF A 5,6-DIHYDRO-1H-PYRIDIN-2-ONE AND ONE OR MORE ADDITIONAL ANTIVIRAL COMPOUNDS ANADYS PHARMACEUTICALS INC (US) 2013-08-21 EP 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-20110229438-A1 METHOD OF INHIBITING HEPATITUS C VIRUS BY COMBINATION OF A 5,6-DIHYDRO-1H-PYRIDIN-2-ONE AND ONE OR MORE ADDITIONAL ANTIVIRAL COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2011-09-22 US disclosed
EP-2346329-A1 A METHOD OF INHIBITING HEPATITIS C VIRUS BY COMBINATION OF A 5,6-DIHYDRO-1H-PYRIDIN-2-ONE AND ONE OR MORE ADDITIONAL ANTIVIRAL COMPOUNDS Anadys Pharmaceuticals, Inc. (US) 2011-07-27 EP 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
WO-2010042834-A1 A METHOD OF INHIBITING HEPATITIS C VIRUS BY COMBINATION OF A 5,6-DIHYDRO-1H-PYRIDIN-2-ONE AND ONE OR MORE ADDITIONAL ANTIVIRAL COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2010-04-15 WO 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 (7 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 ALDH1A1 205/4885RECQL 289/4885CYP3A4 152/4885
US-20100034773-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS HAVCR2, PYGL, HCCS ALDH1A1 417/4885RECQL 446/4885CYP3A4 53/4885
US-20110229438-A1 METHOD OF INHIBITING HEPATITUS C VIRUS BY COMBINATION OF A 5,6-DIHYDRO-1H-PYRIDIN-2-ONE AND ONE OR MORE ADDITIONAL ANTIVIRAL COMPOUNDS HAVCR2, ZC3HAV1, HCCS ALDH1A1 1468/4885RECQL 3254/4885CYP3A4 423/4885
US-20120130068-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS DPYD, NQO1, MT-ND5 ALDH1A1 205/4885RECQL 289/4885CYP3A4 152/4885
US-20140066396-A1 METHOD OF INHIBITING HEPATITUS C VIRUS BY COMBINATION OF A 5,6-DIHYDRO-1H-PYRIDIN-2-ONE AND ONE OR MORE ADDITIONAL ANTIVIRAL COMPOUNDS HAVCR2, ZC3HAV1, HCCS ALDH1A1 1468/4885RECQL 3254/4885CYP3A4 423/4885
US-20140031346-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS HAVCR2, CCR3, C5 ALDH1A1 786/4885RECQL 642/4885CYP3A4 165/4885
US-20150065492-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS HAVCR2, PYGL, HCCS ALDH1A1 417/4885RECQL 446/4885CYP3A4 53/4885

“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.