SCHEMBL18784138

SCHEMBL18784138

CCS(=O)(=O)c1cccnc1C(=O)[O-].[Na+]

nearest known ligand 0.48

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
COMT P21964 1/20 0.48
TSHR P16473 3/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 6/20 0.38
MAPT P10636 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
APOBEC3G Q9HC16 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
BLM P54132 1/20 0.36
AGER Q15109 1/20 0.36
CYP1A2 P05177 1/20 0.36
BRD4 O60885 1/20 0.35
P4HTM Q9NXG6 1/20 0.35
P2RX7 Q99572 1/20 0.35
ACLY P53396 1/20 0.34

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
Lithium Ion SCHEMBL18784153 0.97 COMT (0.48) COMTTSHRHTTKDM4EMAPT
Potassium Ion SCHEMBL18784160 0.97 COMT (0.48) COMTTSHRHTTKDM4EMAPT
SCHEMBL18784122 0.89 TSHR (0.42) COMTTSHRHTTKDM4EMAPT
SCHEMBL18784204 0.87 TSHR (0.40) COMTTSHRHTTKDM4EMAPT
Potassium Ion SCHEMBL18784182 0.86 TSHR (0.42) COMTTSHRHTTKDM4EMAPT
Lithium Ion SCHEMBL18784188 0.86 TSHR (0.42) COMTTSHRHTTKDM4EMAPT
Potassium Ion SCHEMBL18784201 0.84 TSHR (0.40) COMTTSHRHTTKDM4EMAPT
Lithium Ion SCHEMBL18784179 0.84 TSHR (0.40) COMTTSHRHTTKDM4EMAPT
SCHEMBL18784146 0.83 PABPC1 (0.40) TSHRKDM4EMAPTNPSR1GAA
SCHEMBL16834249 0.83 COMT (0.50) COMTTSHRHTTKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3162795-B1 METHOD FOR MANUFACTURING 3-(ALKYL SULFONYL)PYRIDINE-2-CARBOXYLIC ACID SUMITOMO CHEMICAL CO (JP) 2019-07-31 EP disclosed
US-9815786-B2 Method for manufacturing 3-(alkylsulfonyl)pyridine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
US-20170129859-A1 METHOD FOR MANUFACTURING 3-(ALKYLSULFONYL)PYRIDINE-2-CARBOXYLIC ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-11 US disclosed
EP-3162795-A1 METHOD FOR MANUFACTURING 3-(ALKYL SULFONYL)PYRIDINE-2-CARBOXYLIC ACID Sumitomo Chemical Company, Limited (JP) 2017-05-03 EP 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 (1 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-20170129859-A1 METHOD FOR MANUFACTURING 3-(ALKYLSULFONYL)PYRIDINE-2-CARBOXYLIC ACID STS, SRM, CERS2 COMT 3319/4885TSHR 957/4885HTT 3755/4885

“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.