SCHEMBL4101353

SCHEMBL4101353

NCc1ccc(S(=O)(=O)[O-])cc1.[Na+]

nearest known ligand 0.64

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
▸ CA2 known ✓ P00918 6/20 0.64
▸ CA1 known ✓ P00915 5/20 0.64
▸ CA12 known ✓ O43570 4/20 0.64
▸ CA4 known ✓ P22748 4/20 0.64
▸ CA9 Q16790 5/20 0.64
▸ CA6 P23280 3/20 0.64
▸ CA5A P35218 3/20 0.64
▸ CA7 P43166 3/20 0.64
▸ CA14 Q9ULX7 3/20 0.64
▸ CA5B Q9Y2D0 3/20 0.64
▸ MAPT P10636 1/20 0.61
▸ PSIP1 O75475 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.46
▸ LOXL2 Q9Y4K0 4/20 0.45
▸ ABAT P80404 1/20 0.42
▸ F2 P00734 2/20 0.42
▸ TMPRSS4 Q9NRS4 2/20 0.42
▸ TP53 P04637 1/20 0.42

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 SCHEMBL28680277 0.95 CA2 (0.64) CA2CA1CA9CA12CA4
SCHEMBL4101241 0.82 CA2 (0.67) CA2CA1CA9CA12CA4
SCHEMBL6680428 0.80 CA1 (0.70) CA2CA1CA9CA12CA4
SCHEMBL11058236 0.79 CA1 (0.45) CA2CA1CA9CA12CA4
SCHEMBL19953365 0.79 LMNA (0.55) CA2CA1CA9CA12CA4
SCHEMBL8954100 0.79 CA2 (0.52) CA2CA1CA9CA12CA4
Mafenide SCHEMBL41628 0.78 CA2 (1.00) CA2CA1CA9CA12CA4
Hydrochloric Acid SCHEMBL3956091 0.78 CA1 (0.71) CA2CA1CA9CA12CA4
Mafenide SCHEMBL9295695 0.78 CA2 (1.00) CA2CA1CA9CA12CA4
SCHEMBL27257080 0.78 CA2 (0.67) CA2CA1CA9CA12CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117510385-A Chain transfer agent for polycarboxylate superplasticizer, application and preparation method thereof 科之杰新材料集团(贵州)有限公司 2024-02-06 — — CN claimed
WO-1994002497-A1 SULFO-DERIVATIVES OF ADENOSINE THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-02-03 — — WO claimed
CN-117510385-A Chain transfer agent for polycarboxylate superplasticizer, application and preparation method thereof 科之杰新材料集团(贵州)有限公司 2024-02-06 — — CN disclosed
CN-114014788-B Chain transfer agent for polycarboxylate superplasticizer, application and preparation method thereof 科之杰新材料集团(贵州)有限公司 2023-10-10 — — CN disclosed
CN-114014788-A Chain transfer agent for polycarboxylate superplasticizer, application and preparation method thereof 科之杰新材料集团(贵州)有限公司 2022-02-08 — — CN disclosed
CN-112881311-A Creatine kinase detection reagent, kit and detection method 深圳迈瑞生物医疗电子股份有限公司 2021-06-01 — — CN disclosed
CN-106928129-A A kind of cathodic electrochromic compound in electrochromic device 宁波祢若电子科技有限公司 2017-07-07 — — CN disclosed
CN-106916099-A A kind of cathodic electrochromic compound in electrochromic device and preparation method thereof 宁波祢若电子科技有限公司 2017-07-04 — — CN disclosed
CN-106916582-A A kind of cathodic electrochromic compound and associated media and device 宁波祢若电子科技有限公司 2017-07-04 — — CN disclosed
US-20090076140-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SULPHONIC ACID DERIVATIVES ITALFARMACO, S. A. (ES) 2009-03-19 — — US disclosed
US-20060160849-A1 Pharmaceutical compositions containing sulphonic acid derivatives ITALFARMACO, S.A. (ES) 2006-07-20 — — US disclosed
EP-1602644-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SULPHONIC ACID DERIVATIVES Italfarmaco, S.A. (ES) 2005-12-07 — — 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 (2 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-20090076140-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SULPHONIC ACID DERIVATIVES SUCNR1, NR1H4, CYP2B6 CA2 348/4885CA1 902/4885CA12 250/4885
US-20060160849-A1 Pharmaceutical compositions containing sulphonic acid derivatives SUCNR1, NR1H4, CYP2B6 CA2 329/4885CA1 880/4885CA12 269/4885

“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.

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