SCHEMBL18784146

SCHEMBL18784146

CS(=O)(=O)c1cccnc1C(=O)[O-].[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
ADORA2A known ✓ P29274 1/20 0.36
ADORA1 known ✓ P30542 1/20 0.36
PTGS1 known ✓ P23219 1/20 0.36
PTGS2 known ✓ P35354 1/20 0.36
PABPC1 P11940 1/20 0.40
EIF4H Q15056 1/20 0.40
TYK2 P29597 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
AGER Q15109 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
P4HTM Q9NXG6 1/20 0.36
JAK1 P23458 3/20 0.36
JAK2 O60674 2/20 0.36

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
Potassium Ion SCHEMBL18784167 0.97 PABPC1 (0.40) PABPC1EIF4HTYK2L3MBTL1KDM4E
Lithium Ion SCHEMBL18784121 0.97 PABPC1 (0.40) PABPC1EIF4HTYK2L3MBTL1KDM4E
SCHEMBL18784138 0.83 COMT (0.48) L3MBTL1KDM4EMAPTALDH1A1CYP3A4
SCHEMBL1252476 0.82 KDM4E (0.53) PABPC1EIF4HL3MBTL1KDM4EMAPT
SCHEMBL5700122 0.81 L3MBTL1 (0.55) PABPC1EIF4HL3MBTL1KDM4EALDH1A1
SCHEMBL30547366 0.81 L3MBTL1 (0.55) PABPC1EIF4HL3MBTL1KDM4EALDH1A1
SCHEMBL3914430 0.81 MKNK1 (0.41) PABPC1EIF4HTYK2L3MBTL1KDM4E
Potassium Ion SCHEMBL18784160 0.80 COMT (0.48) L3MBTL1KDM4EMAPTALDH1A1CYP3A4
Lithium Ion SCHEMBL18784153 0.80 COMT (0.48) L3MBTL1KDM4EMAPTALDH1A1CYP3A4
SCHEMBL18784122 0.80 TSHR (0.42) L3MBTL1KDM4EMAPTALDH1A1CYP3A4

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 ADORA2A 2420/4885ADORA1 3218/4885PTGS1 1959/4885

“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.