SCHEMBL5022370

SCHEMBL5022370

CC(S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[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 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 2/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
THPO P40225 1/20 0.32
HBB P68871 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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 SCHEMBL2523019 0.92 ALDH1A1 (0.31) ALDH1A1TSHRMEN1KMT2ATP53
Silver SCHEMBL2571872 0.92 ALDH1A1 (0.31) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL5761679 0.92 ALDH1A1 (0.31) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL2524418 0.92 ALDH1A1 (0.31) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL2521151 0.92 ALDH1A1 (0.31) ALDH1A1TSHRMEN1KMT2ATP53
Potassium Ion SCHEMBL29170921 0.92 ALDH1A1 (0.31) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL833093 0.83
SCHEMBL10626476 0.82 ALDH1A1 (0.33) ALDH1A1TSHRMEN1KMT2A
Water SCHEMBL19915258 0.80
SCHEMBL7108138 0.79 MEN1 (0.47) ALDH1A1TSHRMEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12129239-B2 Method for producing methylene disulfonate compound SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2024-10-29 US disclosed
EP-4006020-B1 METHOD FOR PRODUCING CYCLIC DISULFONIC ACID ESTER COMPOUND SUMITOMO SEIKA CHEMICALS (JP) 2024-09-25 EP disclosed
CN-114144407-B Process for producing cyclic disulfonate compound 住友精化株式会社 2024-02-13 CN disclosed
US-11802119-B2 Method for producing cyclic disulfonic acid ester compound SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2023-10-31 US disclosed
CN-116099007-A Pamoate sustained-release composition of local anesthetic and alkaloid 北京汇诚益健医药科技有限责任公司 2023-05-12 CN disclosed
US-20220251060-A1 METHOD FOR PRODUCING CYCLIC DISULFONIC ACID ESTER COMPOUND SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2022-08-11 US disclosed
US-20220251059-A1 METHOD FOR PRODUCING METHYLENE DISULFONATE COMPOUND SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2022-08-11 US disclosed
EP-4006020-A1 METHOD FOR PRODUCING CYCLIC DISULFONIC ACID ESTER COMPOUND Sumitomo Seika Chemicals Co., Ltd. (JP) 2022-06-01 EP disclosed
EP-4006019-A1 METHOD FOR PRODUCING METHYLENE DISULFONATE COMPOUND Sumitomo Seika Chemicals Co., Ltd. (JP) 2022-06-01 EP disclosed
EP-2324027-B1 NEW CRYSTALLINE SALT FORMS OF A 5,6,7,8-TETRAHYDRO-1,2,4- TRIAZOLO[4,3-A]PYRAZINE DERIVATIVE MEDICHEM SA (ES) 2016-02-24 EP disclosed
EP-2610250-B1 METHOD FOR PRODUCING A METHYLENE DISULFONATE COMPOUND SUMITOMO SEIKA CHEMICALS (JP) 2016-01-20 EP disclosed
US-9118062-B2 Anode and method of manufacturing the same, and battery and method of manufacturing the same SONY CORPORATION (JP) 2015-08-25 US disclosed
US-8501966-B2 Method for producing a methylene disulfonate compound SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2013-08-06 US disclosed
EP-2610250-A1 METHOD FOR PRODUCING A METHYLENE DISULFONATE COMPOUND Sumitomo Seika Chemicals Co. Ltd. (JP) 2013-07-03 EP disclosed
US-20130137881-A1 METHOD FOR PRODUCING A METHYLENE DISULFONATE COMPOUND SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2013-05-30 US disclosed
US-20080311472-A1 ANODE AND METHOD OF MANUFACTURING THE SAME, AND BATTERY AND METHOD OF MANUFACTURING THE SAME SONY CORPORATION (JP) 2008-12-18 US 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 (5 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-12129239-B2 Method for producing methylene disulfonate compound TST, MPST, SQOR ALDH1A1 254/4885TSHR 3410/4885MEN1 2976/4885
US-20220251060-A1 METHOD FOR PRODUCING CYCLIC DISULFONIC ACID ESTER COMPOUND STS, TST, SCLY ALDH1A1 260/4885TSHR 3098/4885MEN1 3251/4885
US-20220251059-A1 METHOD FOR PRODUCING METHYLENE DISULFONATE COMPOUND TST, MPST, SQOR ALDH1A1 254/4885TSHR 3410/4885MEN1 2976/4885
US-20130137881-A1 METHOD FOR PRODUCING A METHYLENE DISULFONATE COMPOUND DHPS, ADH7, MPST ALDH1A1 39/4885TSHR 3797/4885MEN1 1982/4885
US-11802119-B2 Method for producing cyclic disulfonic acid ester compound STS, TST, SCLY ALDH1A1 260/4885TSHR 3098/4885MEN1 3251/4885

“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.