SCHEMBL17844252

SCHEMBL17844252

CC(c1ccccc1COCc1ccccc1)S(=O)(=O)[O-].[Na+]

nearest known ligand 0.43

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 19)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 4/20 0.36
CA2 known ✓ P00918 4/20 0.36
CA4 known ✓ P22748 2/20 0.34
CA12 known ✓ O43570 1/20 0.34
ALOX5 known ✓ P09917 1/20 0.34
TSHR P16473 1/20 0.43
CA9 Q16790 3/20 0.36
ACHE P22303 1/20 0.35
CA7 P43166 2/20 0.34
CA5A P35218 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
AGTR1 P30556 1/20 0.34
CTSB P07858 1/20 0.34
GHSR Q92847 2/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
VCP P55072 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL13145477 0.78 TSHR (0.56) TSHRCA1CA2CA9CA7
Sulfuric Acid SCHEMBL11103729 0.76 TSHR (0.68) TSHRCA1CA2CA9CA4
SCHEMBL27704826 0.75 TSHR (0.47) TSHRCA1CA2CA9CA7
SCHEMBL14394524 0.69 TSHR (0.62) TSHRCA1CA2CA9ALDH1A1
SCHEMBL7771649 0.69 GABRA1 (0.43) TSHRCA1CA2
SCHEMBL28301231 0.68 TSHR (0.83) TSHRCA1CA2CA9CA7
SCHEMBL28599647 0.68 ESR1 (0.42) TSHRCA1CA2CA9ACHE
SCHEMBL28776948 0.67 TSHR (0.65) TSHRCA1CA2CA9CA12
SCHEMBL29109741 0.67 TSHR (0.48) TSHRCA1CA2CA9CA4
Sulfuric Acid SCHEMBL21681660 0.66 TSHR (0.71) TSHRCA1CA2CA9CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968190-B2 Processes for preparing oxathiazin-like compounds GEISTLICH PHARMA AG (CH) 2021-04-06 US claimed
EP-3233813-A1 PROCESSES FOR PREPARING OXATHIAZIN-LIKE COMPOUNDS Geistlich Pharma AG (CH) 2017-10-25 EP claimed
WO-2016098054-A1 PROCESSES FOR PREPARING OXATHIAZIN-LIKE COMPOUNDS GEISTLICH PHARMA AG (CH) 2016-06-23 WO claimed
US-11999709-B2 Processes for preparing oxathiazin-like compounds GEISTLICH PHARMA AG (CH) 2024-06-04 US disclosed
US-20230159477-A1 PROCESSES FOR PREPARING OXATHIAZIN-LIKE COMPOUNDS GEISTLICH PHARMA AG (CH) 2023-05-25 US disclosed
US-11591302-B2 Processes for preparing oxathiazin-like compounds GEISTLICH PHARM A AG (CH) 2023-02-28 US disclosed
EP-4011871-A2 PROCESSES FOR PREPARING OXATHIAZIN-LIKE COMPOUNDS Geistlich Pharma AG (CH) 2022-06-15 EP disclosed
US-20210163432-A1 PROCESSES FOR PREPARING OXATHIAZIN-LIKE COMPOUNDS GEISTLICH PHARMA AG (CH) 2021-06-03 US disclosed
US-10968190-B2 Processes for preparing oxathiazin-like compounds GEISTLICH PHARMA AG (CH) 2021-04-06 US disclosed
US-10392355-B2 Processes for preparing oxathiazin-like compounds GEISTLICH PHARMA AG (CH) 2019-08-27 US disclosed
US-20180370932-A1 PROCESSES FOR PREPARING OXATHIAZIN-LIKE COMPOUNDS GEISTLICH PHARMA AG (CH) 2018-12-27 US disclosed
EP-3233813-A1 PROCESSES FOR PREPARING OXATHIAZIN-LIKE COMPOUNDS Geistlich Pharma AG (CH) 2017-10-25 EP disclosed
WO-2016098054-A1 PROCESSES FOR PREPARING OXATHIAZIN-LIKE COMPOUNDS GEISTLICH PHARMA AG (CH) 2016-06-23 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-11591302-B2 Processes for preparing oxathiazin-like compounds OXA1L, MAPT, OTC CA1 4841/4885CA2 4761/4885CA4 4408/4885
US-20180370932-A1 PROCESSES FOR PREPARING OXATHIAZIN-LIKE COMPOUNDS OXA1L, MAPT, OTC CA1 4841/4885CA2 4761/4885CA4 4408/4885
US-20230159477-A1 PROCESSES FOR PREPARING OXATHIAZIN-LIKE COMPOUNDS OXA1L, MAPT, OTC CA1 4841/4885CA2 4761/4885CA4 4408/4885
US-10392355-B2 Processes for preparing oxathiazin-like compounds OXA1L, MAPT, OTC CA1 4841/4885CA2 4761/4885CA4 4408/4885
US-10968190-B2 Processes for preparing oxathiazin-like compounds DCXR, SORD, ADH1C CA1 2737/4885CA2 2448/4885CA4 3039/4885
US-11999709-B2 Processes for preparing oxathiazin-like compounds OXA1L, MAPT, OTC CA1 4841/4885CA2 4761/4885CA4 4408/4885
US-20210163432-A1 PROCESSES FOR PREPARING OXATHIAZIN-LIKE COMPOUNDS OXA1L, MAPT, OTC CA1 4841/4885CA2 4761/4885CA4 4408/4885

“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.